Geometry & MOs

Info

ID:	11720
PubChem CID:	119709
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-127.2
Dipole, Da:	2.39
IP(EA), eV:	-9.31(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbutyl 4-methoxybenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations