Geometry & MOs

Info

ID:	403382
PubChem CID:	135059953
Reduced:	N3O3H25C31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	367.062677
ΔH_f, kcal/mol:	18.07
Dipole, Da:	5.7
IP(EA), eV:	-8.36(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(benzenesulfonyl)-1-methyl-3-nitropyrido[3,4-b]indole

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2C)C4=NC5=C(C=CC=C5OCC6=CC=CC=C6)C=C4

DOS

IR

Vibrations