Geometry & MOs

Info

ID:	24556
PubChem CID:	611037
Reduced:	ClO2N5C20H22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	399.146203
ΔH_f, kcal/mol:	-16.55
Dipole, Da:	5.7
IP(EA), eV:	-9.11(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[2-[4-(2-chloroethyl)piperazin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCCl)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4

DOS

IR

Vibrations