Geometry & MOs

Info

ID:	257131
PubChem CID:	103143966
Reduced:	N3H17C18 (1)
Stoich.:	A3B17C18 (1)
Weight, g/mol:	248.131349
ΔH_f, kcal/mol:	98.77
Dipole, Da:	3.51
IP(EA), eV:	-9.27(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-isoquinolin-8-yl-3-methylphenyl)methanamine

Drug info:

PubChemData

Smile

C1CC1NCC2=CC(=CN=C2)C3=CC=CC4=C3C=NC=C4

DOS

IR

Vibrations