Geometry & MOs

Info

ID:	337766
PubChem CID:	127258389
Reduced:	O5C14H16 (1)
Stoich.:	A5B14C16 (1)
Weight, g/mol:	264.099774
ΔH_f, kcal/mol:	-204.59
Dipole, Da:	8.76
IP(EA), eV:	-9.2(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-phenylmethoxyprop-2-enyl]butanedioic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)/C(=C(/CC(=O)O)\C(=O)O)/C)OC

DOS

IR

Vibrations