Geometry & MOs

Info

ID:	251418
PubChem CID:	103103835
Reduced:	FN2O3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	294.07712
ΔH_f, kcal/mol:	-117.35
Dipole, Da:	2.65
IP(EA), eV:	-9.61(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-3-chloro-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)C1=C(C=CC(=C1)F)C#CCCO

DOS

IR

Vibrations