Geometry & MOs

Info

ID:	381308
PubChem CID:	134972001
Reduced:	N2O4C9H10 (1)
Stoich.:	A2B4C9D10 (1)
Weight, g/mol:	177.092042
ΔH_f, kcal/mol:	-108.39
Dipole, Da:	1.72
IP(EA), eV:	-9.85(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,6R)-6-hydroxy-3,4-dimethylcyclohex-3-en-1-yl]azanium;chloride

Drug info:

PubChemData

Smile

CC1=NC(=CO1)C2=N[C@@H](CO2)C(=O)OC

DOS

IR

Vibrations