Geometry & MOs

Info

ID:	266747
PubChem CID:	103579276
Reduced:	NOC10H15 (1)
Stoich.:	ABC10D15 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	6.1
Dipole, Da:	3.41
IP(EA), eV:	-9.87(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-nitrophenyl)-N-pent-1-yn-3-ylacetamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1CC1C

DOS

IR

Vibrations