Geometry & MOs

Info

ID:	81986
PubChem CID:	49855442
Reduced:	AlBCaFMgSiO2H4 (1)
Stoich.:	ABCDEFG2H4 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-288.38
Dipole, Da:	5.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.880675
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dimethylpropanoyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide

Drug info:

PubChemData

Smile

[B].O.[OH-].F.[Mg].[Al].[Si].[Ca]

DOS

IR

Vibrations