Geometry & MOs

Info

ID:	257108
PubChem CID:	103143833
Reduced:	ON2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	-13.77
Dipole, Da:	3.35
IP(EA), eV:	-8.99(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-1-isoquinolin-8-yl-2-methoxy-N-methylbutan-1-amine

Drug info:

PubChemData

Smile

CCC(CC)(C(C1=CC=CC2=C1C=NC=C2)N)OC

DOS

IR

Vibrations