Geometry & MOs

Info

ID:	257128
PubChem CID:	103143949
Reduced:	N2H16C17 (1)
Stoich.:	A2B16C17 (1)
Weight, g/mol:	262.146999
ΔH_f, kcal/mol:	63.5
Dipole, Da:	2.3
IP(EA), eV:	-9.09(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-isoquinolin-8-ylphenyl)-N-methylethanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CN)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations