Geometry & MOs

Info

ID:	246260
PubChem CID:	103058977
Reduced:	ClO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	249.184112
ΔH_f, kcal/mol:	10.42
Dipole, Da:	3.96
IP(EA), eV:	-8.82(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]oxan-4-amine

Drug info:

PubChemData

Smile

CCNC1=NC=C(N=C1)COC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations