Geometry & MOs

Info

ID:	130347
PubChem CID:	51075673
Reduced:	ClFN2O2C14H18 (1)
Stoich.:	ABC2D2E14F18 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	-141.52
Dipole, Da:	4.29
IP(EA), eV:	-9.5(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-3-(4-ethylphenyl)-N-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN(C)C(=O)C1=C(C=CC=C1Cl)F

DOS

IR

Vibrations