Geometry & MOs

Info

ID:	187787
PubChem CID:	77623077
Reduced:	O3N4H16C23 (1)
Stoich.:	A3B4C16D23 (1)
Weight, g/mol:	327.077454
ΔH_f, kcal/mol:	50.49
Dipole, Da:	1.67
IP(EA), eV:	-8.88(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-chloro-2-morpholin-4-ylbenzo[b][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)N=C4C=CC(=CC4=N3)N5C=CN=C5)O

DOS

IR

Vibrations