Geometry & MOs

Info

ID:	219448
PubChem CID:	85148684
Reduced:	O11H22C26 (1)
Stoich.:	A11B22C26 (1)
Weight, g/mol:	507.16337
ΔH_f, kcal/mol:	-377.62
Dipole, Da:	8.55
IP(EA), eV:	-9.07(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(7-bromo-1,5-naphthyridin-4-yl)imino]-2,4-bis(piperidin-1-ylmethyl)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)C2=C(C3=C(O2)C(=CC(=C3)C=CC(=O)OC)OC(=O)C)C(=O)OC)OC(=O)C

DOS

IR

Vibrations