Geometry & MOs

Info

ID:	21657
PubChem CID:	589435
Reduced:	OC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-105.5
Dipole, Da:	1.85
IP(EA), eV:	-8.91(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-5-propan-2-ylphenyl)ethyl acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)C)CCOC(=O)C

DOS

IR

Vibrations