Geometry & MOs

Info

ID:	311718
PubChem CID:	126597294
Reduced:	FNO7H24C27 (1)
Stoich.:	ABC7D24E27 (1)
Weight, g/mol:	485.221366
ΔH_f, kcal/mol:	-237.61
Dipole, Da:	7.11
IP(EA), eV:	-9.2(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(2-cyclohexyloxycarbonyloxy-5-fluoro-3,4-dihydro-1H-isoquinolin-8-yl)-4-ethoxyphenyl]acetate

Drug info:

PubChemData

Smile

C1CN(CC2=C(C=CC(=C21)F)C3=C4C(=CC(=C3)CC(=O)O)OCCO4)OC(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations