Geometry & MOs

Info

ID:	385652
PubChem CID:	134979641
Reduced:	O2C13H22 (1)
Stoich.:	A2B13C22 (1)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-110.38
Dipole, Da:	1.33
IP(EA), eV:	-9.02(1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S,5S)-3,4-dimethyl-5-methylperoxyhepta-1,6-diene

Drug info:

PubChemData

Smile

CC1C(=CCCC1(C)C2(OCCO2)C)C

DOS

IR

Vibrations