Geometry & MOs

Info

ID:	200522
PubChem CID:	79404910
Reduced:	NC18H39 (1)
Stoich.:	AB18C39 (1)
Weight, g/mol:	230.09498
ΔH_f, kcal/mol:	-84.81
Dipole, Da:	1.72
IP(EA), eV:	-8.84(3.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-2-methylbutanehydrazide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(CCCC)NC

DOS

IR

Vibrations