Geometry & MOs

Info

ID:	6505
PubChem CID:	68777
Reduced:	ClN2O2C21H21 (1)
Stoich.:	AB2C2D21E21 (1)
Weight, g/mol:	368.129156
ΔH_f, kcal/mol:	-4.44
Dipole, Da:	2.99
IP(EA), eV:	-9.2(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-1-[2-(cyclopropylmethoxy)ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

C1CC1COCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations