Geometry & MOs

Info

ID:	123189
PubChem CID:	50836729
Reduced:	O2N3C13H15 (2)
Stoich.:	A2B3C13D15 (2)
Weight, g/mol:	460.13584
ΔH_f, kcal/mol:	-106.76
Dipole, Da:	5.96
IP(EA), eV:	-9.11(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-N-[5-[5-oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3,4-oxadiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CN2C(=O)N3C4=CC=CC=C4C(=O)N(C3=N2)CCC(=O)NCC(C)C

DOS

IR

Vibrations