Geometry & MOs

Info

ID:	266735
PubChem CID:	103579245
Reduced:	ON2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	239.05132
ΔH_f, kcal/mol:	11.03
Dipole, Da:	1.91
IP(EA), eV:	-9.04(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-fluoro-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=CC=CN1C(C)C

DOS

IR

Vibrations