Geometry & MOs

Info

ID:	147085
PubChem CID:	53786732
Reduced:	O2N3C10H11 (1)
Stoich.:	A2B3C10D11 (1)
Weight, g/mol:	284.104859
ΔH_f, kcal/mol:	-18.27
Dipole, Da:	2.85
IP(EA), eV:	-8.51(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CNCC1=NC2=CC3=C(C=C2N1)OCO3

DOS

IR

Vibrations