Geometry & MOs

Info

ID:	303817
PubChem CID:	124490213
Reduced:	FNOC20H22 (1)
Stoich.:	ABCD20E22 (1)
Weight, g/mol:	330.03678
ΔH_f, kcal/mol:	-41.27
Dipole, Da:	3.18
IP(EA), eV:	-8.65(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-7-bromo-4-methyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

C1CCCN(CC1)[C@H](C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations