Geometry & MOs

Info

ID:	153765
PubChem CID:	56313076
Reduced:	FO2N4H23C26 (1)
Stoich.:	AB2C4D23E26 (1)
Weight, g/mol:	393.127581
ΔH_f, kcal/mol:	-4.39
Dipole, Da:	3.47
IP(EA), eV:	-9.0(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-propan-2-yl-5-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations