Geometry & MOs

Info

ID:	321394
PubChem CID:	126665949
Reduced:	O2F3N5C29H30 (1)
Stoich.:	A2B3C5D29E30 (1)
Weight, g/mol:	237.090212
ΔH_f, kcal/mol:	-136.3
Dipole, Da:	5.79
IP(EA), eV:	-9.38(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-naphthalen-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CO)NC(C1=CC=CC=C1)C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F

DOS

IR

Vibrations