Geometry & MOs

Info

ID:	129373
PubChem CID:	51072398
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	328.088164
ΔH_f, kcal/mol:	-76.27
Dipole, Da:	2.97
IP(EA), eV:	-9.0(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-acetylphenoxy)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)CN2C(=O)C=C3CCCCC3=N2

DOS

IR

Vibrations