Geometry & MOs

Info

ID:	284984
PubChem CID:	104087921
Reduced:	NOSC11H25 (1)
Stoich.:	ABCD11E25 (1)
Weight, g/mol:	311.177982
ΔH_f, kcal/mol:	-88.78
Dipole, Da:	2.8
IP(EA), eV:	-8.68(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-piperidin-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol

Drug info:

PubChemData

Smile

CCNC(CSC(C)CO)C(C)(C)C

DOS

IR

Vibrations