Geometry & MOs

Info

ID:	140325
PubChem CID:	52682238
Reduced:	FO4N5C21H24 (1)
Stoich.:	AB4C5D21E24 (1)
Weight, g/mol:	466.194023
ΔH_f, kcal/mol:	-93.82
Dipole, Da:	4.58
IP(EA), eV:	-9.19(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylcarbamoyl)-2-[4-[(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=CC=C1)F)N2CCN(CC2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations