Geometry & MOs

Info

ID:	266802
PubChem CID:	103579508
Reduced:	ON4C9H12 (1)
Stoich.:	AB4C9D12 (1)
Weight, g/mol:	192.101111
ΔH_f, kcal/mol:	50.63
Dipole, Da:	0.84
IP(EA), eV:	-10.39(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pent-1-yn-3-yl-2-(1,2,4-triazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)CN1C=CN=N1

DOS

IR

Vibrations