Geometry & MOs

Info

ID:	429785
PubChem CID:	135169837
Reduced:	ClON4C9H9 (1)
Stoich.:	ABC4D9E9 (1)
Weight, g/mol:	547.145883
ΔH_f, kcal/mol:	72.92
Dipole, Da:	2.74
IP(EA), eV:	-9.09(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-6-(triazol-2-yl)pyridin-3-yl]-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-4,5-dimethylpyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CONC1=CC(=C(C=C1)N2N=CC=N2)Cl

DOS

IR

Vibrations