Geometry & MOs

Info

ID:	133814
PubChem CID:	51593150
Reduced:	SO2N4C17H25 (1)
Stoich.:	AB2C4D17E25 (1)
Weight, g/mol:	320.163711
ΔH_f, kcal/mol:	-7.3
Dipole, Da:	10.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.027702
Charge, e:	0

Chem-info

IUPAC name:

(2R,6R)-2,6-dimethyl-4-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)morpholine

Drug info:

PubChemData

Smile

CC1CC[NH+](CC1)CCNC(=O)CCC2=NC(=NO2)C3=CC=CS3

DOS

IR

Vibrations