Geometry & MOs

Info

ID:	41779
PubChem CID:	8147103
Reduced:	NOC11H11 (2)
Stoich.:	ABC11D11 (2)
Weight, g/mol:	342.146724
ΔH_f, kcal/mol:	-3.4
Dipole, Da:	7.32
IP(EA), eV:	-8.96(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)/C=C/C(=O)C3=CC=C(C=C3)O)C

DOS

IR

Vibrations