Geometry & MOs

Info

ID:	144158
PubChem CID:	53323517
Reduced:	NOC9H15 (3)
Stoich.:	ABC9D15 (3)
Weight, g/mol:	419.199762
ΔH_f, kcal/mol:	-174.43
Dipole, Da:	3.44
IP(EA), eV:	-8.74(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-5-phenyl-3-propan-2-yl-1-(quinolin-8-ylmethyl)-3H-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CCC(=O)N(CCCCCCNC(=O)OC(C)(C)C)C1CCN(CC1)CCC2=CC=CC=C2

DOS

IR

Vibrations