Geometry & MOs

Info

ID:	251419
PubChem CID:	103103847
Reduced:	ClN2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-67.79
Dipole, Da:	2.06
IP(EA), eV:	-9.76(-1.14)
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-5-methylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations