Geometry & MOs

Info

ID:	45451
PubChem CID:	10513661
Reduced:	SN2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	230.178299
ΔH_f, kcal/mol:	63.71
Dipole, Da:	5.4
IP(EA), eV:	-9.05(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1C/C(=C/CN2C=CN=C2)/C3=C(C1)SC=C3

DOS

IR

Vibrations