Geometry & MOs

Info

ID:	336964
PubChem CID:	127256529
Reduced:	SO10N16C40H62 (1)
Stoich.:	AB10C16D40E62 (1)
Weight, g/mol:	288.089878
ΔH_f, kcal/mol:	-302.45
Dipole, Da:	5.51
IP(EA), eV:	-7.42(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-(8-hydroxy-1H-quinolin-5-ylidene)quinolin-8-one

Drug info:

Smile

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)C[N+](C)(C)C.CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)C[N+](C)(C)C.[O-]S(=O)(=O)[O-]

DOS

IR

Vibrations