Geometry & MOs

Info

ID:	68219
PubChem CID:	46507986
Reduced:	F3N4O4C17H23 (1)
Stoich.:	A3B4C4D17E23 (1)
Weight, g/mol:	365.078739
ΔH_f, kcal/mol:	-246.91
Dipole, Da:	7.61
IP(EA), eV:	-8.96(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1CCCNC(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations