Geometry & MOs

Info

ID:	18885
PubChem CID:	550283
Reduced:	O2C11H12 (1)
Stoich.:	A2B11C12 (1)
Weight, g/mol:	176.08373
ΔH_f, kcal/mol:	-58.24
Dipole, Da:	2.15
IP(EA), eV:	-8.88(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl) but-2-enoate

Drug info:

PubChemData

Smile

CC=CC(=O)OC1=CC=C(C=C1)C

DOS

IR

Vibrations