Geometry & MOs

Info

ID:	35644
PubChem CID:	7980134
Reduced:	NO3H23C27 (1)
Stoich.:	AB3C23D27 (1)
Weight, g/mol:	395.152144
ΔH_f, kcal/mol:	-28.32
Dipole, Da:	2.5
IP(EA), eV:	-8.71(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylphenyl)methyl (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)COC(=O)C2=C3CC/C(=C\C4=CC=CO4)/C3=NC5=CC=CC=C52

DOS

IR

Vibrations