Geometry & MOs

Info

ID:	143671
PubChem CID:	53246371
Reduced:	O2F3N3H20C24 (1)
Stoich.:	A2B3C3D20E24 (1)
Weight, g/mol:	421.179027
ΔH_f, kcal/mol:	-131.87
Dipole, Da:	4.89
IP(EA), eV:	-8.89(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methoxy-2-[4-(naphthalen-1-ylmethyl)pyrazol-1-yl]-2,3-dihydro-1H-pyrano[2,3-c]quinoline

Drug info:

PubChemData

Smile

COC1=CC2=C3CC(COC3=CN=C2C=C1)N4C=C(C=N4)CC5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations