Geometry & MOs

Info

ID:	20009
PubChem CID:	576703
Reduced:	OC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-99.14
Dipole, Da:	1.9
IP(EA), eV:	-9.62(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylpentyl 3-methylbenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations