Geometry & MOs

Info

ID:	388666
PubChem CID:	134989811
Reduced:	N4O5C8H16 (1)
Stoich.:	A4B5C8D16 (1)
Weight, g/mol:	168.101111
ΔH_f, kcal/mol:	-187.34
Dipole, Da:	9.0
IP(EA), eV:	-9.07(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-amino-1-propyltriazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CO/C(=C\1/C(=O)N(N=N1)CCO)/[O-].C(CO)[NH3+]

DOS

IR

Vibrations