Geometry & MOs

Info

ID:	168868
PubChem CID:	75030209
Reduced:	N6O10C41H50 (1)
Stoich.:	A6B10C41D50 (1)
Weight, g/mol:	245.105193
ΔH_f, kcal/mol:	-339.79
Dipole, Da:	4.5
IP(EA), eV:	-8.42(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2,2-dimethyl-4,4a-dihydro-3H-pyrano[2,3-b]quinolin-5-one

Drug info:

PubChemData

Smile

CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2CC3=CC=C(C=C3)OC4=C(C=C(C(=C4)CC(C(=O)N1)N(C2=O)C)O)OC)C)C)CC5=CC=C(C=C5)OC)C)C

DOS

IR

Vibrations