Geometry & MOs

Info

ID:	175240
PubChem CID:	75872110
Reduced:	ClFNOH17C18 (1)
Stoich.:	ABCDE17F18 (1)
Weight, g/mol:	249.152892
ΔH_f, kcal/mol:	-30.95
Dipole, Da:	4.4
IP(EA), eV:	-9.38(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1F)N(C2CC2)C(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations