Geometry & MOs

Info

ID:	337993
PubChem CID:	127258616
Reduced:	OC8H13 (2)
Stoich.:	AB8C13 (2)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-109.68
Dipole, Da:	1.67
IP(EA), eV:	-9.04(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethylbut-2-enyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(C)C(=C)C1CCC(=CC1)C

DOS

IR

Vibrations