Geometry & MOs

Info

ID:	206867
PubChem CID:	80313725
Reduced:	SO2N3C12H21 (1)
Stoich.:	AB2C3D12E21 (1)
Weight, g/mol:	250.154209
ΔH_f, kcal/mol:	-74.52
Dipole, Da:	6.14
IP(EA), eV:	-8.91(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-amino-2-ethylbutyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

Drug info:

PubChemData

Smile

CCC(CCN)CNC1=CC=C(C=C1)S(=O)(=O)N

DOS

IR

Vibrations