Geometry & MOs

Info

ID:	197493
PubChem CID:	78970648
Reduced:	ON2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	253.06697
ΔH_f, kcal/mol:	31.48
Dipole, Da:	3.96
IP(EA), eV:	-9.84(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-fluoro-N-propyl-N-prop-2-ynylbenzamide

Drug info:

PubChemData

Smile

CCN(CC#C)C(=O)C1=CN=CC=C1

DOS

IR

Vibrations