Geometry & MOs

Info

ID:	273549
PubChem CID:	103771352
Reduced:	SN3O3C13H19 (1)
Stoich.:	AB3C3D13E19 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-126.92
Dipole, Da:	6.32
IP(EA), eV:	-9.62(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-1-oxo-2H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CN=C2N(C1=O)CCS2)O

DOS

IR

Vibrations