Geometry & MOs

Info

ID:	158261
PubChem CID:	56463247
Reduced:	ON2C21H26 (1)
Stoich.:	AB2C21D26 (1)
Weight, g/mol:	481.193689
ΔH_f, kcal/mol:	6.38
Dipole, Da:	2.8
IP(EA), eV:	-8.85(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)CC1=CC=C(C=C1)C2=CC=CC=C2)N(C)C3CC3

DOS

IR

Vibrations