Geometry & MOs

Info

ID:	164713
PubChem CID:	74442306
Reduced:	O3N6H15C19 (1)
Stoich.:	A3B6C15D19 (1)
Weight, g/mol:	494.160363
ΔH_f, kcal/mol:	38.68
Dipole, Da:	1.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770446
Charge, e:	-1

Chem-info

IUPAC name:

3-[[3-methoxy-4-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N=[N+](C2=O)CC(=O)NCC3=CN=C(C=C3)N4C=CC=N4

DOS

IR

Vibrations