Geometry & MOs

Info

ID:	195778
PubChem CID:	78732370
Reduced:	FO2N5C23H24 (1)
Stoich.:	AB2C5D23E24 (1)
Weight, g/mol:	420.196154
ΔH_f, kcal/mol:	-53.78
Dipole, Da:	5.06
IP(EA), eV:	-8.7(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)N)C(=O)NCC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations