Geometry & MOs

Info

ID:	265646
PubChem CID:	103536677
Reduced:	ClO2N3C10H14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	243.183444
ΔH_f, kcal/mol:	-48.06
Dipole, Da:	6.6
IP(EA), eV:	-9.2(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

COC1CN(CC1OC)C2=CC(=NC=N2)Cl

DOS

IR

Vibrations