Geometry & MOs

Info

ID:	7946
PubChem CID:	74511
Reduced:	ClON2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	290.118591
ΔH_f, kcal/mol:	-23.71
Dipole, Da:	3.41
IP(EA), eV:	-9.13(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-5-cyclohexyl-1-methyl-3H-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3CCCCC3

DOS

IR

Vibrations