Geometry & MOs

Info

ID:	289434
PubChem CID:	104353680
Reduced:	ON6C11H18 (1)
Stoich.:	AB6C11D18 (1)
Weight, g/mol:	327.06947
ΔH_f, kcal/mol:	-27.14
Dipole, Da:	4.14
IP(EA), eV:	-8.74(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-bromo-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1CCN(CC1)C2=NC(=NC(=C2)N)N

DOS

IR

Vibrations