Geometry & MOs

Info

ID:	206858
PubChem CID:	80311744
Reduced:	SN3C15H27 (1)
Stoich.:	AB3C15D27 (1)
Weight, g/mol:	255.061238
ΔH_f, kcal/mol:	1.25
Dipole, Da:	2.28
IP(EA), eV:	-8.83(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-ethyl-5-(1,3-thiazol-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)CN(CCN)C2CCCC2

DOS

IR

Vibrations