Geometry & MOs

Info

ID:	70896
PubChem CID:	48414013
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	383.076072
ΔH_f, kcal/mol:	-77.35
Dipole, Da:	8.81
IP(EA), eV:	-8.43(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCC2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations