Geometry & MOs

Info

ID:	120923
PubChem CID:	50750860
Reduced:	ON5H25C28 (1)
Stoich.:	AB5C25D28 (1)
Weight, g/mol:	447.20591
ΔH_f, kcal/mol:	75.83
Dipole, Da:	3.22
IP(EA), eV:	-8.09(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-3-[[(6-methylpyridin-2-yl)amino]-pyridin-2-ylmethyl]-1H-indol-5-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)NC(=C3C(C4=CC=CC=N4)NC5=CC=CC=N5)C

DOS

IR

Vibrations