Geometry & MOs

Info

ID:	85275
PubChem CID:	49873366
Reduced:	ON5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	274.062139
ΔH_f, kcal/mol:	66.77
Dipole, Da:	2.29
IP(EA), eV:	-9.24(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

CCC(=O)N(CC1=CC=CC(=C1)C)C2=CC=CC(=C2)C3=NNN=N3

DOS

IR

Vibrations