Geometry & MOs

Info

ID:	196371
PubChem CID:	78816776
Reduced:	O3N4C24H36 (1)
Stoich.:	A3B4C24D36 (1)
Weight, g/mol:	296.14193
ΔH_f, kcal/mol:	-114.14
Dipole, Da:	0.8
IP(EA), eV:	-8.99(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CC=CC=C2)CC(=O)N3CCN(CC3)CC(=O)N4CCOCC4

DOS

IR

Vibrations