Geometry & MOs

Info

ID:	256083
PubChem CID:	103136915
Reduced:	N4H14C15 (1)
Stoich.:	A4B14C15 (1)
Weight, g/mol:	277.157898
ΔH_f, kcal/mol:	88.52
Dipole, Da:	5.47
IP(EA), eV:	-8.37(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-benzyl-8-N-ethylisoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

C1=CC(=C2C=NC=CC2=C1N)NCC3=CC=NC=C3

DOS

IR

Vibrations