Geometry & MOs

Info

ID:	41667
PubChem CID:	8146741
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	334.120509
ΔH_f, kcal/mol:	-76.78
Dipole, Da:	3.11
IP(EA), eV:	-8.99(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-hydroxy-3-methoxyphenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)CN2C(=O)[C@@](NC2=O)(C)C3=CC(=CC=C3)OC

DOS

IR

Vibrations