Geometry & MOs

Info

ID:	255596
PubChem CID:	103133262
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	284.188863
ΔH_f, kcal/mol:	-94.15
Dipole, Da:	2.4
IP(EA), eV:	-8.66(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoethyl)-1-isoquinolin-8-ylheptan-1-one

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=CC(=C2)C)C(C)NC

DOS

IR

Vibrations