Geometry & MOs

Info

ID:	196103
PubChem CID:	78781207
Reduced:	O3N4C19H30 (1)
Stoich.:	A3B4C19D30 (1)
Weight, g/mol:	339.183444
ΔH_f, kcal/mol:	-51.96
Dipole, Da:	6.46
IP(EA), eV:	-8.81(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-acetylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)NCCCN(C)C)[N+](=O)[O-])C

DOS

IR

Vibrations