Geometry & MOs

Info

ID:	298717
PubChem CID:	117654363
Reduced:	O3C17H18 (1)
Stoich.:	A3B17C18 (1)
Weight, g/mol:	472.216221
ΔH_f, kcal/mol:	-68.59
Dipole, Da:	4.42
IP(EA), eV:	-9.18(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-[2-ethyl-4-(4-fluorophenyl)-6-methylphenyl]-4-methoxy-2-oxocyclopent-3-en-1-yl]ethyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C3(COC3)O

DOS

IR

Vibrations