Geometry & MOs

Info

ID:	341406
PubChem CID:	127264099
Reduced:	OC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-50.3
Dipole, Da:	2.81
IP(EA), eV:	-9.22(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(3-ethylphenyl)pentanoate

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)/C=C/C=C/C(=O)OC

DOS

IR

Vibrations