Geometry & MOs

Info

ID:

186551

PubChem CID:

77444028

Reduced:

N2O2C29H44 (1)

Stoich.:

A2B2C29D44 (1)

Weight, g/mol:

584.372641

ΔHf, kcal/mol:

-100.44

Dipole, Da:

4.67

IP(EA), eV:

 -8.66(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[3-[2-[acetyl(methyl)amino]ethyl]piperidin-1-yl]ethyl]-13-cyclohexyl-3-methyl-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid

Drug info:

PubChemData

Smile

CCN(C1CCC2(CCN(CC2)CCC(C)(C)C)C3=CC=CC=C13)C(=O)C4CCOC(=C)C4

DOS

IR

Vibrations