Geometry & MOs

Info

ID:	199132
PubChem CID:	79202985
Reduced:	ON3C11H23 (1)
Stoich.:	AB3C11D23 (1)
Weight, g/mol:	341.08512
ΔH_f, kcal/mol:	-75.66
Dipole, Da:	5.08
IP(EA), eV:	-9.31(1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one

Drug info:

PubChemData

Smile

CC(CNC)C(=O)NC1CCC(CC1)N

DOS

IR

Vibrations