Geometry & MOs

Info

ID:	161614
PubChem CID:	57392140
Reduced:	NO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	344.125988
ΔH_f, kcal/mol:	-24.3
Dipole, Da:	5.72
IP(EA), eV:	-8.42(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(3,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C(=C/C#N)/C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations