Geometry & MOs

Info

ID:	256078
PubChem CID:	103136890
Reduced:	ClN3O3C9H12 (1)
Stoich.:	AB3C3D9E12 (1)
Weight, g/mol:	263.142248
ΔH_f, kcal/mol:	-20.87
Dipole, Da:	10.24
IP(EA), eV:	-9.82(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-N-methyl-2-pyridin-4-ylethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=C(C(=N2)[N+](=O)[O-])Cl

DOS

IR

Vibrations