Geometry & MOs

Info

ID:	45518
PubChem CID:	10514447
Reduced:	OC8H10 (2)
Stoich.:	AB8C10 (2)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	-78.29
Dipole, Da:	4.72
IP(EA), eV:	-9.21(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-hex-2-enyl] (E)-4-phenylbut-3-enoate

Drug info:

PubChemData

Smile

CCCC[C@@H]1C2=CC=CC=C2C=C[C@]1(C)C(=O)O

DOS

IR

Vibrations