Geometry & MOs

Info

ID:	121544
PubChem CID:	50772961
Reduced:	ClFON3H13C17 (1)
Stoich.:	ABCD3E13F17 (1)
Weight, g/mol:	287.14339
ΔH_f, kcal/mol:	-7.52
Dipole, Da:	6.26
IP(EA), eV:	-8.95(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-1-(4-fluorophenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)C2=CN(N=C2)C3=CC=C(C=C3)F

DOS

IR

Vibrations