Geometry & MOs

Info

ID:	185277
PubChem CID:	77279719
Reduced:	OSN2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	151.060643
ΔH_f, kcal/mol:	-38.79
Dipole, Da:	2.77
IP(EA), eV:	-8.94(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-triazolo[4,5-d]pyrimidine-5,5-diamine

Drug info:

PubChemData

Smile

CCCNC(=O)C(CSCC1=CC=CC=C1)N

DOS

IR

Vibrations