Geometry & MOs

Info

ID:	247191
PubChem CID:	103068567
Reduced:	SN3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	198.093918
ΔH_f, kcal/mol:	47.09
Dipole, Da:	2.96
IP(EA), eV:	-8.76(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CCCNCC(=C)CSC1=NC=CN=C1

DOS

IR

Vibrations