Geometry & MOs

Info

ID:	195773
PubChem CID:	78732365
Reduced:	FN3O4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	361.15904
ΔH_f, kcal/mol:	-141.94
Dipole, Da:	1.41
IP(EA), eV:	-8.79(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]hexa-2,4-dienamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)CC3=CC(=CC=C3)F

DOS

IR

Vibrations