Geometry & MOs

Info

ID:	84388
PubChem CID:	49866140
Reduced:	O3C8H8 (3)
Stoich.:	A3B8C8 (3)
Weight, g/mol:	447.19582
ΔH_f, kcal/mol:	-273.64
Dipole, Da:	4.03
IP(EA), eV:	-8.29(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[6-(4-fluoro-2-methoxyphenyl)pyridin-2-yl]methyl]indol-6-yl]-3-hydroxy-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC(=C4C(=C3OC)OCO4)OC)OC5CCCCO5

DOS

IR

Vibrations