Geometry & MOs

Info

ID:	385165
PubChem CID:	134978430
Reduced:	O3C17H22 (1)
Stoich.:	A3B17C22 (1)
Weight, g/mol:	302.170207
ΔH_f, kcal/mol:	-86.65
Dipole, Da:	2.55
IP(EA), eV:	-9.01(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COCC(=C=C1CCCC[C@H]1O)C2=CC=CC=C2OC

DOS

IR

Vibrations