Geometry & MOs

Info

ID:	252023
PubChem CID:	103108540
Reduced:	F2O2N3C11H17 (1)
Stoich.:	A2B2C3D11E17 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-158.98
Dipole, Da:	3.65
IP(EA), eV:	-10.46(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-cyano-1-phenylethyl)amino]-N-ethyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC(F)F)CC(C)C

DOS

IR

Vibrations