Geometry & MOs

Info

ID:	310040
PubChem CID:	126573103
Reduced:	FN3O3C38H50 (1)
Stoich.:	AB3C3D38E50 (1)
Weight, g/mol:	333.05284
ΔH_f, kcal/mol:	-175.13
Dipole, Da:	6.15
IP(EA), eV:	-8.66(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-[(2-fluoro-6-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C)F)CN2CCC3=C(C2)C=CC(=C3)C4=C(N=C(C(=C4N5CCC(CC5)(C)C)[C@@H](C(=O)O)OC(C)(C)C)C)C

DOS

IR

Vibrations