Geometry & MOs

Info

ID:	210011
PubChem CID:	80750822
Reduced:	SN2O5C7H12 (1)
Stoich.:	AB2C5D7E12 (1)
Weight, g/mol:	290.160357
ΔH_f, kcal/mol:	-190.79
Dipole, Da:	6.14
IP(EA), eV:	-10.54(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-(2-methylmorpholin-4-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCC(C#N)S(=O)(=O)N[C@H](CO)C(=O)O

DOS

IR

Vibrations