Geometry & MOs

Info

ID:	402824
PubChem CID:	135057423
Reduced:	NOH21C22 (1)
Stoich.:	ABC21D22 (1)
Weight, g/mol:	268.14633
ΔH_f, kcal/mol:	15.95
Dipole, Da:	3.72
IP(EA), eV:	-9.16(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-(4-methoxyphenyl)ethyl]-4-methylphenyl]ethanone

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C=CC(=C1)C2=CC=CC=C2)CCC3=CC=CC=C3

DOS

IR

Vibrations