Geometry & MOs

Info

ID:	129228
PubChem CID:	51071997
Reduced:	N3O6C27H29 (1)
Stoich.:	A3B6C27D29 (1)
Weight, g/mol:	279.090518
ΔH_f, kcal/mol:	-127.66
Dipole, Da:	7.35
IP(EA), eV:	-9.22(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-amine;dihydrochloride

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1)C)C(=O)O[C@@H]2CCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations