Geometry & MOs

Info

ID:	209662
PubChem CID:	80700310
Reduced:	ON2C17H32 (1)
Stoich.:	AB2C17D32 (1)
Weight, g/mol:	152.015667
ΔH_f, kcal/mol:	-100.31
Dipole, Da:	4.8
IP(EA), eV:	-9.2(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2H-[1,2,4]triazolo[4,3-c]pyrimidine-3-thione

Drug info:

PubChemData

Smile

CCC1(CCN(C1)C(=O)CCC2CCCC(C2)N)CC

DOS

IR

Vibrations