Geometry & MOs

Info

ID:	401
PubChem CID:	2712
Reduced:	ClON3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	299.08254
ΔH_f, kcal/mol:	88.36
Dipole, Da:	5.42
IP(EA), eV:	-8.77(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine

Drug info:

PubChemData

Smile

CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O

DOS

IR

Vibrations