Geometry & MOs

Info

ID:	43763
PubChem CID:	10321755
Reduced:	N2O4C27H38 (1)
Stoich.:	A2B4C27D38 (1)
Weight, g/mol:	454.309647
ΔH_f, kcal/mol:	-127.11
Dipole, Da:	3.72
IP(EA), eV:	-8.04(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[12-(1-iminoisoquinolin-2-yl)dodecyl]isoquinolin-1-imine

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)CCCCCN3CCC4=CC(=C(C=C4C3)OC)OC)OC

DOS

IR

Vibrations