Geometry & MOs

Info

ID:	343204
PubChem CID:	127266377
Reduced:	FON3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	272.113648
ΔH_f, kcal/mol:	-77.82
Dipole, Da:	5.85
IP(EA), eV:	-9.05(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-2-(trifluoromethyl)azetidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(N1C(=O)NC2=NC=C(C=C2)F)(C)C

DOS

IR

Vibrations