Geometry & MOs

Info

ID:	277201
PubChem CID:	103827278
Reduced:	ClN2O2C9H11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	213.172879
ΔH_f, kcal/mol:	-73.4
Dipole, Da:	3.81
IP(EA), eV:	-8.9(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-hydroxycyclohexyl)methyl]-3-methylpyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC(=NC=C1N)Cl

DOS

IR

Vibrations