Geometry & MOs

Info

ID:	257134
PubChem CID:	103143990
Reduced:	N2C19H20 (1)
Stoich.:	A2B19C20 (1)
Weight, g/mol:	262.146999
ΔH_f, kcal/mol:	57.34
Dipole, Da:	2.9
IP(EA), eV:	-8.99(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-isoquinolin-8-ylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

CC(C)NCC1=CC=C(C=C1)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations