Geometry & MOs

Info

ID:	138367
PubChem CID:	52356833
Reduced:	ClFOSN3C18H23 (1)
Stoich.:	ABCDE3F18G23 (1)
Weight, g/mol:	388.179835
ΔH_f, kcal/mol:	-41.87
Dipole, Da:	4.84
IP(EA), eV:	-8.24(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)ethyl]-2-[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CSC2N1C(=O)CC([NH2+]2)C[NH+](CC3=C(C=CC=C3Cl)F)C4CC4

DOS

IR

Vibrations