Geometry & MOs

Info

ID:	409367
PubChem CID:	135082147
Reduced:	N3C36H50 (1)
Stoich.:	A3B36C50 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	49.26
Dipole, Da:	3.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.947277
Charge, e:	0

Chem-info

IUPAC name:

(2S)-9-methyl-2-propan-2-yl-2,3-dihydrofuro[2,3-b]quinolin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C/C=C\CCCCCCCC[N+]2=CC=CC(=C2)CCCCCC/C=C\CCC3=CC=NC=C3

DOS

IR

Vibrations