Geometry & MOs

Info

ID:	256446
PubChem CID:	103139264
Reduced:	NOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	228.162649
ΔH_f, kcal/mol:	-21.88
Dipole, Da:	3.71
IP(EA), eV:	-9.29(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-isoquinolin-8-ylbutan-2-amine

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations