Geometry & MOs

Info

ID:	179112
PubChem CID:	76435034
Reduced:	ON5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	230.141913
ΔH_f, kcal/mol:	2.28
Dipole, Da:	3.81
IP(EA), eV:	-9.08(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperidin-2-one

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)CCN2C=CN=C2C3=CC=CC(=N3)C

DOS

IR

Vibrations