Geometry & MOs

Info

ID:	165610
PubChem CID:	74575357
Reduced:	N3O4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	296.130697
ΔH_f, kcal/mol:	-99.89
Dipole, Da:	5.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.971905
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(CN3CCN(CC3)C4=CC=CC=[NH+]4)O

DOS

IR

Vibrations