Geometry & MOs

Info

ID:	339403
PubChem CID:	127261299
Reduced:	O3H14C16 (1)
Stoich.:	A3B14C16 (1)
Weight, g/mol:	326.151809
ΔH_f, kcal/mol:	-81.1
Dipole, Da:	3.06
IP(EA), eV:	-9.36(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,4-dimethoxy-6-phenylmethoxy-2-[(E)-prop-1-enyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=C(C=C1)C2=CC=CC=C2)OC(=O)C

DOS

IR

Vibrations