Geometry & MOs

Info

ID:	403409
PubChem CID:	135060120
Reduced:	SN2H16C19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	347.090606
ΔH_f, kcal/mol:	89.05
Dipole, Da:	2.21
IP(EA), eV:	-8.43(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-nitrophenyl)-5H-pyrido[4,3-b]indole-4-carboxylate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C(C(=CN=C31)C4=CC=CC=C4)SC

DOS

IR

Vibrations