Geometry & MOs

Info

ID:	349105
PubChem CID:	127274831
Reduced:	O2N4C19H32 (1)
Stoich.:	A2B4C19D32 (1)
Weight, g/mol:	394.16166
ΔH_f, kcal/mol:	-66.75
Dipole, Da:	3.43
IP(EA), eV:	-9.08(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone

Drug info:

PubChemData

Smile

CC1CC(CC(C1)(C)C)CC(=O)N2CCN(CC2)CC3=NC(=NO3)C

DOS

IR

Vibrations