Geometry & MOs

Info

ID:	257084
PubChem CID:	103143662
Reduced:	N3C18H25 (1)
Stoich.:	A3B18C25 (1)
Weight, g/mol:	257.189198
ΔH_f, kcal/mol:	36.79
Dipole, Da:	3.42
IP(EA), eV:	-8.42(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-diethyl-1-isoquinolin-8-ylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CN(C)C1(CCCCC1)C(C2=CC=CC3=C2C=NC=C3)N

DOS

IR

Vibrations