Geometry & MOs

Info

ID:	215989
PubChem CID:	85085546
Reduced:	OC14H24 (1)
Stoich.:	AB14C24 (1)
Weight, g/mol:	209.053552
ΔH_f, kcal/mol:	-66.04
Dipole, Da:	2.0
IP(EA), eV:	-9.19(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,4,5-tetrahydroxy-6-nitrohexan-2-one

Drug info:

PubChemData

Smile

CC1=CC(C(C1)C(C)C=C(C)CO)(C)C

DOS

IR

Vibrations