Geometry & MOs

Info

ID:	426975
PubChem CID:	135154829
Reduced:	BrN2O3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	420.190989
ΔH_f, kcal/mol:	-100.98
Dipole, Da:	4.02
IP(EA), eV:	-8.95(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-[(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)oxy]piperidin-1-yl]-6-methyl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-3-one

Drug info:

PubChemData

Smile

CCCCOC(=O)N(C1=CC(=C(C=C1)CC)Br)C(=O)C2=CC=CC=C2N

DOS

IR

Vibrations