Geometry & MOs

Info

ID:	278913
PubChem CID:	103839806
Reduced:	N3O4C12H21 (1)
Stoich.:	A3B4C12D21 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-123.36
Dipole, Da:	6.36
IP(EA), eV:	-8.94(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]isoquinoline-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)OCC(=O)NCC(C)(CN(C)C)O

DOS

IR

Vibrations