Geometry & MOs

Info

ID:	266801
PubChem CID:	103579500
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	192.101111
ΔH_f, kcal/mol:	-71.39
Dipole, Da:	2.78
IP(EA), eV:	-9.16(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=CC(=C(C=C1)O)O

DOS

IR

Vibrations