Geometry & MOs

Info

ID:	256442
PubChem CID:	103139233
Reduced:	NOCl2H11C16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	214.146999
ΔH_f, kcal/mol:	11.6
Dipole, Da:	2.96
IP(EA), eV:	-9.2(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-isoquinolin-8-ylethyl)propan-1-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=C(C=CC=C3Cl)Cl)O

DOS

IR

Vibrations