Geometry & MOs

Info

ID:	143681
PubChem CID:	53247177
Reduced:	O4N5C35H43 (1)
Stoich.:	A4B5C35D43 (1)
Weight, g/mol:	347.179776
ΔH_f, kcal/mol:	-109.25
Dipole, Da:	8.92
IP(EA), eV:	-9.02(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3-fluorophenyl)methyl]-2-azabicyclo[2.2.1]heptan-7-yl]isoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]2CCC[C@@H](O2)CNC3=NC=NC(=C3C)C(=O)N4CCC(CC4)N5CCC(C5)C6=CC=C(C=C6)C(=O)O

DOS

IR

Vibrations