Geometry & MOs

Info

ID:	34503
PubChem CID:	7978580
Reduced:	ClN3O3C15H22 (1)
Stoich.:	AB3C3D15E22 (1)
Weight, g/mol:	325.167794
ΔH_f, kcal/mol:	-104.31
Dipole, Da:	3.07
IP(EA), eV:	-9.59(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)O[C@@H](C)C(=O)NC2CC2)Cl

DOS

IR

Vibrations