Geometry & MOs

Info

ID:	219617
PubChem CID:	85154871
Reduced:	NOF4H11C12 (2)
Stoich.:	ABC4D11E12 (2)
Weight, g/mol:	511.1219
ΔH_f, kcal/mol:	-463.8
Dipole, Da:	8.93
IP(EA), eV:	-9.5(-0.69)
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(morpholin-4-ylmethyl)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C(N2)C(C3=CC=CC=C3)(F)F)C4=CC=C(C=C4)C(C(F)(F)F)(C(F)(F)F)O

DOS

IR

Vibrations