Geometry & MOs

Info

ID:	196824
PubChem CID:	78883883
Reduced:	NO2F3C16H26 (1)
Stoich.:	AB2C3D16E26 (1)
Weight, g/mol:	323.14339
ΔH_f, kcal/mol:	-259.6
Dipole, Da:	3.96
IP(EA), eV:	-9.58(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1CCC(CC1)N(C2CC2)C(=O)C(C)OCC(F)(F)F

DOS

IR

Vibrations