Geometry & MOs

Info

ID:	156096
PubChem CID:	56369121
Reduced:	ON6C19H24 (1)
Stoich.:	AB6C19D24 (1)
Weight, g/mol:	417.177645
ΔH_f, kcal/mol:	48.4
Dipole, Da:	5.84
IP(EA), eV:	-8.65(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-tert-butyl-1H-pyrazol-3-yl)-5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=C(C=NN1C2=CC=CC=N2)C(=O)NC3=NNC(=C3)C(C)(C)C

DOS

IR

Vibrations