Geometry & MOs

Info

ID:	143682
PubChem CID:	53247178
Reduced:	FN3C22H22 (1)
Stoich.:	AB3C22D22 (1)
Weight, g/mol:	343.204848
ΔH_f, kcal/mol:	37.18
Dipole, Da:	3.43
IP(EA), eV:	-8.33(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-methylphenyl)methyl]-2-azabicyclo[2.2.1]heptan-6-yl]isoquinolin-5-amine

Drug info:

PubChemData

Smile

C1CC2C(C1CN2CC3=CC(=CC=C3)F)NC4=CC=CC5=C4C=CN=C5

DOS

IR

Vibrations