Geometry & MOs

Info

ID:	439155
PubChem CID:	135228920
Reduced:	ON4C30H36 (1)
Stoich.:	AB4C30D36 (1)
Weight, g/mol:	327.236228
ΔH_f, kcal/mol:	32.62
Dipole, Da:	9.81
IP(EA), eV:	-8.56(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-4-methyl-1-[2-(4-propan-2-ylidenecyclohexyl)propyl]-1,2-dihydroisoquinoline

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N3C=C(C(=O)C=C3C2=C1)C(=C)C)C(C)(C)C)C4=CN=C(N=C4)NCC5CC5

DOS

IR

Vibrations