Geometry & MOs

Info

ID:	239962
PubChem CID:	93374155
Reduced:	ON4C14H24 (1)
Stoich.:	AB4C14D24 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-32.64
Dipole, Da:	0.85
IP(EA), eV:	-9.36(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)hexan-1-one

Drug info:

PubChemData

Smile

CC[C@H](C)NCC(=O)N1CCC[C@@H](C1)C2=CC=NN2

DOS

IR

Vibrations