Geometry & MOs

Info

ID:	65988
PubChem CID:	46484882
Reduced:	ON2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	352.142307
ΔH_f, kcal/mol:	37.02
Dipole, Da:	2.83
IP(EA), eV:	-8.77(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-4-(4-cyano-2-methoxyphenoxy)butanamide

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)C(=O)CCC3=NC(=NO3)C4=CN=CC=C4

DOS

IR

Vibrations