Geometry & MOs

Info

ID:	266675
PubChem CID:	103578901
Reduced:	ClON2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	266.04582
ΔH_f, kcal/mol:	18.79
Dipole, Da:	1.68
IP(EA), eV:	-9.99(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-nitro-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations