Geometry & MOs

Info

ID:	45382
PubChem CID:	10512401
Reduced:	O2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	204.148319
ΔH_f, kcal/mol:	-67.06
Dipole, Da:	3.56
IP(EA), eV:	-9.38(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations