Geometry & MOs

Info

ID:	429711
PubChem CID:	135169762
Reduced:	OF3N10H15C22 (1)
Stoich.:	AB3C10D15E22 (1)
Weight, g/mol:	450.127675
ΔH_f, kcal/mol:	51.97
Dipole, Da:	7.14
IP(EA), eV:	-9.65(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[1-imidazo[1,2-a]pyridin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]methylamino]-2-(triazol-2-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C=NCC1=C(N=CC(=C1)NC(=O)C2=C(N(N=C2)C3=NC=CC4=C3C=CC=N4)C(F)(F)F)N5N=CC=N5

DOS

IR

Vibrations