Geometry & MOs

Info

ID:	408326
PubChem CID:	135081092
Reduced:	O3H5C6 (2)
Stoich.:	A3B5C6 (2)
Weight, g/mol:	220.037173
ΔH_f, kcal/mol:	-206.66
Dipole, Da:	2.32
IP(EA), eV:	-8.73(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

(Z)-2-phenylmethoxybut-2-enedioate

Drug info:

PubChemData

Smile

CC1(OC2=C(C3=CC(=C(C=C3O2)O)O)C(=O)O1)C

DOS

IR

Vibrations