Geometry & MOs

Info

ID:	411773
PubChem CID:	135084618
Reduced:	O3N6C25H35 (1)
Stoich.:	A3B6C25D35 (1)
Weight, g/mol:	300.195011
ΔH_f, kcal/mol:	-60.16
Dipole, Da:	6.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.108007
Charge, e:	2

Chem-info

IUPAC name:

(2S)-N-(1,5,7,8-tetramethyl-1,8-naphthyridine-1,8-diium-2-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=[N+](C2=C1C=CC(=[N+]2C)NC(=O)[C@@H]3CCCN3)C)C.CC(=O)NC1=[NH+]C(=CC=C1)OC

DOS

IR

Vibrations