Geometry & MOs

Info

ID:	48868
PubChem CID:	11528417
Reduced:	NO2C9H15 (1)
Stoich.:	AB2C9D15 (1)
Weight, g/mol:	170.057909
ΔH_f, kcal/mol:	-89.03
Dipole, Da:	5.88
IP(EA), eV:	-9.74(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylate

Drug info:

PubChemData

Smile

CCC(/C=C/C)N1CCOC1=O

DOS

IR

Vibrations