Geometry & MOs

Info

ID:	263341
PubChem CID:	103358404
Reduced:	NO3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	227.152144
ΔH_f, kcal/mol:	-140.8
Dipole, Da:	5.75
IP(EA), eV:	-9.17(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCN(C1)CC2(CCOCC2)C=O)O

DOS

IR

Vibrations