Geometry & MOs

Info

ID:	184884
PubChem CID:	77224168
Reduced:	ON4C11H16 (1)
Stoich.:	AB4C11D16 (1)
Weight, g/mol:	529.193269
ΔH_f, kcal/mol:	-8.58
Dipole, Da:	4.05
IP(EA), eV:	-9.37(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-[1-(aminomethyl)-5-hydroxy-6-methyl-3,4-dihydro-1H-isochromen-3-yl]piperidin-1-yl]butan-2-yl]thiophene-2-carboxamide;dihydrochloride

Drug info:

PubChemData

Smile

CC(=O)C1=CN=C(N=C1)NCC2CCCN2

DOS

IR

Vibrations