Geometry & MOs

Info

ID:	228497
PubChem CID:	87564934
Reduced:	ClON4F6H19C20 (1)
Stoich.:	ABC4D6E19F20 (1)
Weight, g/mol:	211.074562
ΔH_f, kcal/mol:	-290.34
Dipole, Da:	3.49
IP(EA), eV:	-9.07(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-pyrido[4,3-b]indole-8-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1)C(C2=CC=CC=C2Cl)C(=O)N(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N

DOS

IR

Vibrations