Geometry & MOs

Info

ID:	285061
PubChem CID:	104094332
Reduced:	SN5C9H15 (1)
Stoich.:	AB5C9D15 (1)
Weight, g/mol:	220.168797
ΔH_f, kcal/mol:	122.97
Dipole, Da:	5.33
IP(EA), eV:	-9.34(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(1-pent-4-ynyl-1,2,4-triazol-3-yl)methyl]propan-2-amine

Drug info:

PubChemData

Smile

CNCCN1C(=NN=N1)SCCCC#C

DOS

IR

Vibrations