Geometry & MOs

Info

ID:	81649
PubChem CID:	49854964
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	375.231063
ΔH_f, kcal/mol:	-9.5
Dipole, Da:	5.52
IP(EA), eV:	-8.34(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-[4-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]-3,5-dihydro-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CCN1CC2CC2(C1)C3=CC=C(C=C3)N4CCCN5C4=NC(=C5)C(=O)OCC

DOS

IR

Vibrations