Geometry & MOs

Info

ID:	145075
PubChem CID:	53456689
Reduced:	ClO2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	388.201159
ΔH_f, kcal/mol:	0.01
Dipole, Da:	7.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752148
Charge, e:	2

Chem-info

IUPAC name:

5,6-diamino-2-phenyl-8-piperidin-1-yl-1,2-dihydrofuro[2,3-c][2,7]naphthyridine-4,7-diium-9-carbonitrile

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)C(=O)C(=CC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations