Geometry & MOs

Info

ID:	295812
PubChem CID:	117544743
Reduced:	SN2O2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	-38.71
Dipole, Da:	3.24
IP(EA), eV:	-8.0(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-(2,4-dimethoxyphenyl)pent-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)C2=NC(=C(S2)N)C)OC

DOS

IR

Vibrations