Geometry & MOs

Info

ID:	181744
PubChem CID:	76787206
Reduced:	N2O2C23H30 (1)
Stoich.:	A2B2C23D30 (1)
Weight, g/mol:	435.096139
ΔH_f, kcal/mol:	-57.48
Dipole, Da:	3.96
IP(EA), eV:	-8.86(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-5-methyl-N-[3-oxo-1-[3-(trifluoromethyl)phenyl]propyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2CC(=NN2C(=O)C)C=CC3=C(C(CCC3(C)C)O)C

DOS

IR

Vibrations