Geometry & MOs

Info

ID:	170196
PubChem CID:	75206050
Reduced:	NF3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	468.146537
ΔH_f, kcal/mol:	-227.8
Dipole, Da:	5.9
IP(EA), eV:	-8.6(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2CCCN2C(=O)C=CC3=CC(=CC=C3)C(F)(F)F)OC

DOS

IR

Vibrations