Geometry & MOs

Info

ID:	263340
PubChem CID:	103358344
Reduced:	ClO2N3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	227.152144
ΔH_f, kcal/mol:	-65.52
Dipole, Da:	4.01
IP(EA), eV:	-8.47(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]oxane-4-carbaldehyde

Drug info:

PubChemData

Smile

CC1(CCN(C1)C(=O)C2=C(C=CC(=C2)Cl)NN)O

DOS

IR

Vibrations