Geometry & MOs

Info

ID:	338059
PubChem CID:	127258690
Reduced:	OC7H12 (2)
Stoich.:	AB7C12 (2)
Weight, g/mol:	298.156895
ΔH_f, kcal/mol:	-104.06
Dipole, Da:	2.7
IP(EA), eV:	-9.37(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-phenylmethoxyphenyl)methyl 3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)CC(=O)O/C(=C/CC=C)/C(C)(C)C

DOS

IR

Vibrations