Geometry & MOs

Info

ID:	328822
PubChem CID:	126728314
Reduced:	SO3N5C25H27 (1)
Stoich.:	AB3C5D25E27 (1)
Weight, g/mol:	345.314398
ΔH_f, kcal/mol:	-28.13
Dipole, Da:	1.33
IP(EA), eV:	-8.9(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,6-dipentylcyclohex-2-en-1-yl)-1,4,6-trimethyl-2H-1,3,5-triazine

Drug info:

PubChemData

Smile

C1CC(CCC1NCC2=CC(=CC=C2)C3=CC=CO3)NC4NC(=CC=N4)/C=C\5/C(=O)NC(=O)S5

DOS

IR

Vibrations