Geometry & MOs

Info

ID:	251424
PubChem CID:	103103869
Reduced:	FO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-63.64
Dipole, Da:	1.51
IP(EA), eV:	-9.85(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-3-(3-aminoprop-1-ynyl)-N-ethyl-2-methylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations