Geometry & MOs

Info

ID:	341133
PubChem CID:	127263568
Reduced:	BrNO2H9C10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	270.130419
ΔH_f, kcal/mol:	-106.32
Dipole, Da:	3.7
IP(EA), eV:	-8.85(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C2C(=C1)C(CN2)N3CCC4=CC(=C(C=C43)C(=O)OC)Br)Br

DOS

IR

Vibrations