Geometry & MOs

Info

ID:	251425
PubChem CID:	103103874
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	293.093104
ΔH_f, kcal/mol:	-25.62
Dipole, Da:	1.34
IP(EA), eV:	-9.46(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-4-(3-aminoprop-1-ynyl)-3-chloro-N-ethylbenzamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)C1=CC=CC(=C1C)C#CCN

DOS

IR

Vibrations