Geometry & MOs

Info

ID:	413159
PubChem CID:	135086104
Reduced:	ON2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	322.058971
ΔH_f, kcal/mol:	5.63
Dipole, Da:	4.54
IP(EA), eV:	-8.29(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-carboxyfuran-2-yl)-5H-pyrido[4,3-b]indole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C)NC2=CN=CC=C2

DOS

IR

Vibrations