Geometry & MOs

Info

ID:	171707
PubChem CID:	75415571
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	393.049189
ΔH_f, kcal/mol:	-49.22
Dipole, Da:	5.28
IP(EA), eV:	-8.52(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(6-methoxy-1H-indol-2-yl)-3-oxopropanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CN(C)C(=O)NC2=CC=CC=N2)C

DOS

IR

Vibrations