Geometry & MOs

Info

ID:	368322
PubChem CID:	127327915
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	359.257277
ΔH_f, kcal/mol:	-67.3
Dipole, Da:	4.9
IP(EA), eV:	-9.12(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide

Drug info:

PubChemData

Smile

CCC1=NOC2=C1C=C(C=N2)C(=O)NCC(CN3CCC(CC3)C)O

DOS

IR

Vibrations