Geometry & MOs

Info

ID:	377962
PubChem CID:	134224029
Reduced:	NO6C26H33 (1)
Stoich.:	AB6C26D33 (1)
Weight, g/mol:	341.135111
ΔH_f, kcal/mol:	-217.5
Dipole, Da:	11.81
IP(EA), eV:	-8.68(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(2-methyl-3-propan-2-yloxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)OC4CC(C4)OC)C(C)(C)C

DOS

IR

Vibrations