Geometry & MOs

Info

ID:	330740
PubChem CID:	127248147
Reduced:	FN4O4H21C22 (1)
Stoich.:	AB4C4D21E22 (1)
Weight, g/mol:	413.21147
ΔH_f, kcal/mol:	-52.48
Dipole, Da:	7.61
IP(EA), eV:	-9.61(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclohexanecarbonyl)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-N-methylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=CC(=NO2)C(=O)N3CCC(C3)(CC4=CC(=NO4)C5=CC=C(C=C5)F)C(=O)N

DOS

IR

Vibrations