Geometry & MOs

Info

ID:	320094
PubChem CID:	126658184
Reduced:	N3O4C32H35 (1)
Stoich.:	A3B4C32D35 (1)
Weight, g/mol:	323.179776
ΔH_f, kcal/mol:	-97.58
Dipole, Da:	3.63
IP(EA), eV:	-8.82(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-fluorophenyl)-4-[(2-methylpropylamino)methyl]isoquinolin-1-amine

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2CC3=C(C2)C(=CC=C3)OCC4=CC=C(C=C4)CN5CCC(CC5)OC6=CC=CC=C6

DOS

IR

Vibrations