Geometry & MOs

Info

ID:

229706

PubChem CID:

87568569

Reduced:

NO2C24H31 (1)

Stoich.:

AB2C24D31 (1)

Weight, g/mol:

483.140843

ΔHf, kcal/mol:

-1.95

Dipole, Da:

8.75

IP(EA), eV:

 -8.81(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(3,4-dihydroxyphenyl)-1-[[3-[4-hydroxy-3-(methylcarbamoyloxy)phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]azanium;chloride

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C=C1C(C[C@@H]3[C@H]2CC[C@]4([C@H]3C(=C)C(=C)C4(C)C#N)C)CO

DOS

IR

Vibrations