Geometry & MOs

Info

ID:	393526
PubChem CID:	135020899
Reduced:	O2N3C27H27 (1)
Stoich.:	A2B3C27D27 (1)
Weight, g/mol:	426.218152
ΔH_f, kcal/mol:	15.69
Dipole, Da:	1.8
IP(EA), eV:	-9.25(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-benzyl-7-methyl-3-morpholin-4-yl-6-(2-phenylethyl)pyrrolo[3,4-b]pyridin-6-ium-5-one

Drug info:

PubChemData

Smile

C=C1C2=NC(=C(C=C2C(=O)N1CCC3=CC=CC=C3)N4CCOCC4)CC5=CC=CC=C5

DOS

IR

Vibrations