Geometry & MOs

Info

ID:	185241
PubChem CID:	77275090
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	446.169638
ΔH_f, kcal/mol:	-41.14
Dipole, Da:	5.16
IP(EA), eV:	-8.49(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-5-methyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCCCC1C(=C2C=CC(=O)C(=C2)OC)C=C(N=N1)OC3CCN(CC3)C

DOS

IR

Vibrations