Geometry & MOs

Info

ID:	221516
PubChem CID:	85273806
Reduced:	O3C8H12 (2)
Stoich.:	A3B8C12 (2)
Weight, g/mol:	312.136159
ΔH_f, kcal/mol:	-219.77
Dipole, Da:	8.26
IP(EA), eV:	-9.67(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(3-hydroxy-5-phenylmethoxyphenyl)but-2-enoate

Drug info:

PubChemData

Smile

CC1CCC2CCOC3C24C1CCC(O3)(OO4)CCC(=O)O

DOS

IR

Vibrations