Geometry & MOs

Info

ID:	226494
PubChem CID:	87457563
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	455.00924
ΔH_f, kcal/mol:	-58.24
Dipole, Da:	2.79
IP(EA), eV:	-8.6(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-bromopyridin-4-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OCC3N2N=C([C@]3(CCCO)C4=CC=CC=C4)C(=O)N(C)OC

DOS

IR

Vibrations