Geometry & MOs

Info

ID:	24233
PubChem CID:	608576
Reduced:	OC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	-41.78
Dipole, Da:	2.38
IP(EA), eV:	-9.3(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations