Geometry & MOs

Info

ID:	389027
PubChem CID:	134990928
Reduced:	OC19H28 (1)
Stoich.:	AB19C28 (1)
Weight, g/mol:	333.043567
ΔH_f, kcal/mol:	-56.69
Dipole, Da:	1.89
IP(EA), eV:	-8.22(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-5-(2-chlorophenyl)-4-hydroxy-N-methyl-3H-1,4-benzodiazepin-2-imine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)OC)[C@H]2C[C@@H]3CC[C@]2(C3(C)C)C

DOS

IR

Vibrations