Geometry & MOs

Info

ID:	251415
PubChem CID:	103103809
Reduced:	SN2O3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-74.42
Dipole, Da:	1.88
IP(EA), eV:	-9.31(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)-5-methylbenzamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)C1=C(C=CS1)C#CCCO

DOS

IR

Vibrations