Geometry & MOs

Info

ID:	36014
PubChem CID:	7980639
Reduced:	SN2O2H20C23 (1)
Stoich.:	AB2C2D20E23 (1)
Weight, g/mol:	391.178358
ΔH_f, kcal/mol:	3.27
Dipole, Da:	4.35
IP(EA), eV:	-8.47(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylphenoxy)-N-[4-(4-ethoxyphenoxy)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CCC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations