Geometry & MOs

Info

ID:	217121
PubChem CID:	85087289
Reduced:	O5C19H26 (1)
Stoich.:	A5B19C26 (1)
Weight, g/mol:	334.178024
ΔH_f, kcal/mol:	-187.97
Dipole, Da:	2.04
IP(EA), eV:	-9.15(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2-methylpropanoyloxy)phenyl]prop-2-enyl 3-methylbutanoate

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=COC(=O)C)C=COC(=O)C)C=O)C

DOS

IR

Vibrations