Geometry & MOs

Info

ID:	120927
PubChem CID:	50750875
Reduced:	O2N5H27C29 (1)
Stoich.:	A2B5C27D29 (1)
Weight, g/mol:	477.216475
ΔH_f, kcal/mol:	33.17
Dipole, Da:	4.21
IP(EA), eV:	-8.1(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NC(C2=CC=CC=N2)C3=C(NC4=C3C=C(C=C4)NC(=O)C5=CC=CC=C5OC)C

DOS

IR

Vibrations