Geometry & MOs

Info

ID:	243558
PubChem CID:	99226810
Reduced:	SN3O4H19C20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	359.14339
ΔH_f, kcal/mol:	-8.41
Dipole, Da:	6.6
IP(EA), eV:	-8.71(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-N-methyl-N-(naphthalen-2-ylmethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)OC)[N+](=O)[O-]

DOS

IR

Vibrations