Geometry & MOs

Info

ID:	77860
PubChem CID:	49665790
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	338.154289
ΔH_f, kcal/mol:	-26.99
Dipole, Da:	5.64
IP(EA), eV:	-8.51(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-6-(3,4,5-trimethylpyrazol-1-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1)C2=NC=C(C=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations