Geometry & MOs

Info

ID:	123440
PubChem CID:	50847532
Reduced:	ON4C22H24 (1)
Stoich.:	AB4C22D24 (1)
Weight, g/mol:	437.247855
ΔH_f, kcal/mol:	35.48
Dipole, Da:	3.01
IP(EA), eV:	-8.85(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-fluorophenyl)ethyl]-2-[1-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC(=O)C2=CC=CC(=C2)C3=NC=CN=C3N(C)C)C

DOS

IR

Vibrations