Geometry & MOs

Info

ID:	356640
PubChem CID:	127292059
Reduced:	O3N6C17H28 (1)
Stoich.:	A3B6C17D28 (1)
Weight, g/mol:	360.17731
ΔH_f, kcal/mol:	-74.14
Dipole, Da:	6.86
IP(EA), eV:	-9.0(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2CCN(CC2)C(=O)C3CCN(CC3)C(=O)N(C)C

DOS

IR

Vibrations