Geometry & MOs

Info

ID:	139609
PubChem CID:	52570608
Reduced:	ClN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	362.135446
ΔH_f, kcal/mol:	-52.08
Dipole, Da:	3.28
IP(EA), eV:	-8.16(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propyl-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NC3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations