Geometry & MOs

Info

ID:	20404
PubChem CID:	583760
Reduced:	OC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	192.11503
ΔH_f, kcal/mol:	-91.92
Dipole, Da:	2.87
IP(EA), eV:	-9.72(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-ethylbenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations