Geometry & MOs

Info

ID:	243028
PubChem CID:	99215163
Reduced:	BrO2N4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	454.10044
ΔH_f, kcal/mol:	-46.11
Dipole, Da:	6.87
IP(EA), eV:	-8.34(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

Drug info:

PubChemData

Smile

C1CN(C[C@H]1CNC(=O)CNC(=O)NCC2=CC=CC=C2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations