Geometry & MOs

Info

ID:	330742
PubChem CID:	127248149
Reduced:	FO4N5C22H24 (1)
Stoich.:	AB4C5D22E24 (1)
Weight, g/mol:	439.170748
ΔH_f, kcal/mol:	-83.95
Dipole, Da:	6.81
IP(EA), eV:	-9.7(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCC(=O)N2CCC(C2)(CC3=CC(=NO3)C4=CC=C(C=C4)F)C(=O)NC

DOS

IR

Vibrations