Geometry & MOs

Info

ID:	41646
PubChem CID:	8146681
Reduced:	SN3O4C16H17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	327.151767
ΔH_f, kcal/mol:	-113.76
Dipole, Da:	6.22
IP(EA), eV:	-9.03(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[benzyl(ethyl)amino]methyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-thione

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)CN[C@@H](C)C3=CC=CO3)C(=O)OC

DOS

IR

Vibrations