Geometry & MOs

Info

ID:	219053
PubChem CID:	85090415
Reduced:	N2O5H28C34 (1)
Stoich.:	A2B5C28D34 (1)
Weight, g/mol:	542.227768
ΔH_f, kcal/mol:	-75.42
Dipole, Da:	5.2
IP(EA), eV:	-8.57(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[9-(3-methoxy-4-nitrophenyl)-6-oxobenzo[b][1,4]benzodiazepin-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1C(C(OC1N2C=NC(=C2C3=CC=CC=C3)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

DOS

IR

Vibrations