Geometry & MOs

Info

ID:	361018
PubChem CID:	127301887
Reduced:	N4O4C13H20 (1)
Stoich.:	A4B4C13D20 (1)
Weight, g/mol:	343.225977
ΔH_f, kcal/mol:	-183.16
Dipole, Da:	5.71
IP(EA), eV:	-9.54(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CCNC(=O)CN2CC(=O)NC2=O

DOS

IR

Vibrations