Geometry & MOs

Info

ID:	390808
PubChem CID:	135001053
Reduced:	NOC20H31 (1)
Stoich.:	ABC20D31 (1)
Weight, g/mol:	158.094294
ΔH_f, kcal/mol:	-85.59
Dipole, Da:	4.21
IP(EA), eV:	-8.82(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-hydroperoxyoct-7-en-2-one

Drug info:

PubChemData

Smile

CCC[C@H]1CCCCN1C(=O)CCC2=C(C=C(C=C2C)C)C

DOS

IR

Vibrations