Geometry & MOs

Info

ID:	339426
PubChem CID:	127261322
Reduced:	ON2C20H24 (1)
Stoich.:	AB2C20D24 (1)
Weight, g/mol:	318.219495
ΔH_f, kcal/mol:	-23.78
Dipole, Da:	3.72
IP(EA), eV:	-8.32(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(E)-7-ethoxy-3,7-dimethyloct-2-enoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CC=CC=C2)NC3CCN(CC3)C(=O)C

DOS

IR

Vibrations