Geometry & MOs

Info

ID:	257135
PubChem CID:	103143992
Reduced:	NC9H9 (2)
Stoich.:	AB9C9 (2)
Weight, g/mol:	278.141913
ΔH_f, kcal/mol:	59.77
Dipole, Da:	2.77
IP(EA), eV:	-9.13(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-isoquinolin-8-yl-2-methoxyphenyl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)C2=CC=CC3=C2C=NC=C3)N

DOS

IR

Vibrations