Geometry & MOs

Info

ID:	143970
PubChem CID:	53289216
Reduced:	NSO4C17H21 (1)
Stoich.:	ABC4D17E21 (1)
Weight, g/mol:	360.160456
ΔH_f, kcal/mol:	-124.47
Dipole, Da:	9.28
IP(EA), eV:	-8.6(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-3-methylphenoxy)-N-[[4-(dimethylamino)phenyl]methyl]butanamide

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=C2OCC)OC

DOS

IR

Vibrations