Geometry & MOs

Info

ID:	280740
PubChem CID:	103851053
Reduced:	BrClNO4C13H17 (1)
Stoich.:	ABCD4E13F17 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-164.6
Dipole, Da:	2.94
IP(EA), eV:	-9.17(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1H-inden-5-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)COC1=C(C=C(C=C1)Cl)Br

DOS

IR

Vibrations