Geometry & MOs

Info

ID:	303818
PubChem CID:	124490214
Reduced:	BrON2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	330.03678
ΔH_f, kcal/mol:	34.37
Dipole, Da:	5.68
IP(EA), eV:	-9.31(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CC(=O)NC2=C([C@@H]1C3=CC=CC=C3)C=C(C=C2)Br

DOS

IR

Vibrations