Geometry & MOs

Info

ID:	233704
PubChem CID:	92092957
Reduced:	ClON3H16C20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	328.132411
ΔH_f, kcal/mol:	55.5
Dipole, Da:	5.5
IP(EA), eV:	-9.68(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-pyridin-4-ylpyridin-3-yl)methyl]-1H-indole-6-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C2=CC=NC=C2)CNC(=O)C=CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations