Geometry & MOs

Info

ID:	297799
PubChem CID:	117631438
Reduced:	N2O2C25H38 (1)
Stoich.:	A2B2C25D38 (1)
Weight, g/mol:	432.166077
ΔH_f, kcal/mol:	-108.06
Dipole, Da:	5.37
IP(EA), eV:	-8.21(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxolan-2-yl-[4-[4-[4-(trifluoromethyl)phenyl]benzoyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1N2CCN(CC2)CCCC3CC4(CCCCC4)C(=O)O3

DOS

IR

Vibrations