Geometry & MOs

Info

ID:	30216
PubChem CID:	840791
Reduced:	O4C15H18 (1)
Stoich.:	A4B15C18 (1)
Weight, g/mol:	262.120509
ΔH_f, kcal/mol:	-144.18
Dipole, Da:	4.63
IP(EA), eV:	-8.91(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-5-(4-methoxyphenyl)-2-methyl-3-oxopent-4-en-2-yl] acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations