Geometry & MOs

Info

ID:	195957
PubChem CID:	78753819
Reduced:	O2N3C27H29 (1)
Stoich.:	A2B3C27D29 (1)
Weight, g/mol:	427.225977
ΔH_f, kcal/mol:	13.01
Dipole, Da:	20.72
IP(EA), eV:	-8.52(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-[(4-piperidin-1-ylphenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid

Drug info:

PubChemData

Smile

CC[NH+]1CC(=CC2=CC=C(C=C2)N3CCCCC3)C4=NC5=CC=CC=C5C(=C4C1)C(=O)[O-]

DOS

IR

Vibrations