Geometry & MOs

Info

ID:	197534
PubChem CID:	78974869
Reduced:	N3O3C9H11 (1)
Stoich.:	A3B3C9D11 (1)
Weight, g/mol:	289.140197
ΔH_f, kcal/mol:	-66.58
Dipole, Da:	2.97
IP(EA), eV:	-9.7(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN(C)NC(=O)C1=NC=C(C=C1)C(=O)O

DOS

IR

Vibrations