Geometry & MOs

Info

ID:	21520
PubChem CID:	588837
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	216.089878
ΔH_f, kcal/mol:	-44.79
Dipole, Da:	5.12
IP(EA), eV:	-8.32(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,9-tetrahydro-1H-pyrido[2,3-b]indole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1C(CNC2=C1C3=CC=CC=C3N2)C(=O)O

DOS

IR

Vibrations