Geometry & MOs

Info

ID:	170566
PubChem CID:	75253491
Reduced:	ON2H10C11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	466.172894
ΔH_f, kcal/mol:	89.68
Dipole, Da:	10.65
IP(EA), eV:	-8.56(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-8-(4-methylphenyl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

C1CN(C2C1CCO2)C3=CC=CC4=CC(=C5C6=C(C=NC=C6)NC5=O)N=CC43

DOS

IR

Vibrations