Geometry & MOs

Info

ID:	383288
PubChem CID:	134974925
Reduced:	O3C20H22 (1)
Stoich.:	A3B20C22 (1)
Weight, g/mol:	262.120509
ΔH_f, kcal/mol:	-118.76
Dipole, Da:	3.29
IP(EA), eV:	-8.9(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[acetyloxy-(3,4-dimethylphenyl)methyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC2=CC3=C(CC(CC3=O)(C)C)OC2=O)C

DOS

IR

Vibrations