Geometry & MOs

Info

ID:	46364
PubChem CID:	10524084
Reduced:	O7C20H32 (1)
Stoich.:	A7B20C32 (1)
Weight, g/mol:	384.183778
ΔH_f, kcal/mol:	-327.3
Dipole, Da:	2.93
IP(EA), eV:	-9.7(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(4-methylphenyl)-4-(2-phenylethyl)-3H-1,4-benzodiazepine-2,5-dione

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@]2([C@@]3(C[C@]4([C@@]5([C@](C[C@@]3([C@]5([C@]2([C@H]1O)O4)O)O)(C(C)C)O)C)O)C)O

DOS

IR

Vibrations