Geometry & MOs

Info

ID:	335842
PubChem CID:	127254704
Reduced:	ClFN3O4C21H21 (1)
Stoich.:	ABC3D4E21F21 (1)
Weight, g/mol:	420.168522
ΔH_f, kcal/mol:	-176.75
Dipole, Da:	7.9
IP(EA), eV:	-9.01(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=C(C(=CC=C3)Cl)F)O

DOS

IR

Vibrations