Geometry & MOs

Info

ID:

146194

PubChem CID:

53649116

Reduced:

NOC7H8 (2)

Stoich.:

ABC7D8 (2)

Weight, g/mol:

735.1261

ΔHf, kcal/mol:

-39.96

Dipole, Da:

7.54

IP(EA), eV:

 -9.16(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[2-[4-[(2R)-6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-6-methoxyhept-6-en-1-one

Drug info:

PubChemData

Smile

C1C=C(C=NC2=CC=CC=C21)C(CC(=O)O)CN

DOS

IR

Vibrations