Geometry & MOs

Info

ID:	187844
PubChem CID:	77634005
Reduced:	BrClN3O4C17H21 (1)
Stoich.:	ABC3D4E17F21 (1)
Weight, g/mol:	443.232125
ΔH_f, kcal/mol:	-120.27
Dipole, Da:	6.23
IP(EA), eV:	-7.89(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-1-[(2-phenyltriazol-4-yl)methyl]piperazine-2,5-dione

Drug info:

PubChemData

Smile

CC(COC)N1C=C(N=C(C1O)N2CCOC3=C2C(=CC(=C3)OC)Br)Cl

DOS

IR

Vibrations