Geometry & MOs

Info

ID:	251423
PubChem CID:	103103867
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	277.122655
ΔH_f, kcal/mol:	-38.58
Dipole, Da:	1.41
IP(EA), eV:	-9.54(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-2-(3-aminoprop-1-ynyl)-N-ethyl-4-fluorobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations