Geometry & MOs

Info

ID:	138368
PubChem CID:	52356859
Reduced:	FN2O4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	388.179835
ΔH_f, kcal/mol:	-171.0
Dipole, Da:	6.42
IP(EA), eV:	-8.55(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C2CN(C[C@@H](C2=C(C=C1)OC)O)CC(=O)NCCC3=CC=C(C=C3)F

DOS

IR

Vibrations