Geometry & MOs

Info

ID:	178502
PubChem CID:	76338269
Reduced:	OSF3N5C22H22 (1)
Stoich.:	ABC3D5E22F22 (1)
Weight, g/mol:	364.169939
ΔH_f, kcal/mol:	-74.34
Dipole, Da:	3.87
IP(EA), eV:	-8.6(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-3-pyridin-4-ylprop-2-enamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC=CC(=C2)C(=NOCC3=CSC(=N3)C4=CC=C(C=C4)C(F)(F)F)N

DOS

IR

Vibrations