Geometry & MOs

Info

ID:	276219
PubChem CID:	103821328
Reduced:	SN2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	228.183778
ΔH_f, kcal/mol:	33.12
Dipole, Da:	4.18
IP(EA), eV:	-8.34(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-pyrrolidin-1-ylethylamino)methyl]oxan-4-ol

Drug info:

PubChemData

Smile

C1CCC(C1)CNC2=CC3=C(C=C2)N=CS3

DOS

IR

Vibrations