Geometry & MOs

Info

ID:	206861
PubChem CID:	80312170
Reduced:	ClN2S2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	269.076888
ΔH_f, kcal/mol:	27.54
Dipole, Da:	3.22
IP(EA), eV:	-8.77(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)CSC2=C(C=CC=C2Cl)N

DOS

IR

Vibrations