Geometry & MOs

Info

ID:	478
PubChem CID:	2820
Reduced:	ClN4C17H17 (1)
Stoich.:	AB4C17D17 (1)
Weight, g/mol:	312.114174
ΔH_f, kcal/mol:	87.75
Dipole, Da:	4.2
IP(EA), eV:	-7.97(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-6-piperazin-1-yl-5H-benzo[b][1,4]benzodiazepine

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl

DOS

IR

Vibrations