Geometry & MOs

Info

ID:	175814
PubChem CID:	75951775
Reduced:	BrO3C21H31 (1)
Stoich.:	AB3C21D31 (1)
Weight, g/mol:	496.22974
ΔH_f, kcal/mol:	-147.29
Dipole, Da:	5.6
IP(EA), eV:	-9.56(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-4-oxobutyl]-2-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC2=C(C(=O)CC12)C)C(=C)C(=O)OCCCCCCBr

DOS

IR

Vibrations