Geometry & MOs

Info

ID:	218298
PubChem CID:	85089144
Reduced:	N2O6H22C25 (1)
Stoich.:	A2B6C22D25 (1)
Weight, g/mol:	444.14337
ΔH_f, kcal/mol:	-95.31
Dipole, Da:	4.21
IP(EA), eV:	-9.36(-1.53)
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,N-dimethylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)C(=O)OCC=CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations