Geometry & MOs

Info

ID:

146513

PubChem CID:

53699544

Reduced:

NOC16H21 (1)

Stoich.:

ABC16D21 (1)

Weight, g/mol:

1135.581957

ΔHf, kcal/mol:

-14.69

Dipole, Da:

1.1

IP(EA), eV:

-8.7(-0.33)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(1E)-3-cyclohexyl-N-hydroxypropanimidoyl chloride;dimethyl 2-methylidenebutanedioate;3-[6,8-dioxo-3-(2-piperidin-4-ylethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]propanoic acid;methyl 3-aminopropanoate;methyl 3-[3-(2-cyclohexylethyl)-6-methylidene-8-oxo-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl]propanoate

Drug info:

PubChemData

Smile

CCCNC(COC)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations