Geometry & MOs

Info

ID:

179923

PubChem CID:

76556983

Reduced:

N2O4C35H40 (1)

Stoich.:

A2B4C35D40 (1)

Weight, g/mol:

617.368953

ΔHf, kcal/mol:

-104.21

Dipole, Da:

6.32

IP(EA), eV:

 -8.61(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(4-aminophenyl)-1-[4-(1,4-diazepan-1-yl)piperidin-1-yl]-1-oxopropan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCN(CC1=CC=CC=C1)C2=C(C=CC(=C2)C3=NC(=C(O3)C)CCOC4=CC5=C(C=C4)C(CC5)C(C)C(=O)O)C

DOS

IR

Vibrations