Geometry & MOs

Info

ID:	438000
PubChem CID:	135227453
Reduced:	N3H21C29 (1)
Stoich.:	A3B21C29 (1)
Weight, g/mol:	512.203525
ΔH_f, kcal/mol:	140.96
Dipole, Da:	1.19
IP(EA), eV:	-8.08(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1H-indol-3-yl)ethyl]-5-N,5-N,6-trimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C3=C(C=CC(=C3)N(C4=CC=CC=C4)C5=CC=CC=C5)C6=NC=CN=C26

DOS

IR

Vibrations