Geometry & MOs

Info

ID:	204995
PubChem CID:	80041701
Reduced:	FN2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	288.088576
ΔH_f, kcal/mol:	-98.97
Dipole, Da:	0.52
IP(EA), eV:	-8.71(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanopropyl)-2-fluoro-N-methyl-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

COC(=O)C1CCN(C1)C2=C(C=CC=N2)F

DOS

IR

Vibrations