Geometry & MOs

Info

ID:	257077
PubChem CID:	103143606
Reduced:	N5H11C12 (1)
Stoich.:	A5B11C12 (1)
Weight, g/mol:	282.209599
ΔH_f, kcal/mol:	103.55
Dipole, Da:	3.47
IP(EA), eV:	-9.62(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylcyclohexyl)-1-isoquinolin-8-yl-N-methylmethanamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=NC=NN3)N

DOS

IR

Vibrations