Geometry & MOs

Info

ID:	210429
PubChem CID:	80805708
Reduced:	BrN5C10H14 (1)
Stoich.:	AB5C10D14 (1)
Weight, g/mol:	264.195011
ΔH_f, kcal/mol:	61.7
Dipole, Da:	5.2
IP(EA), eV:	-9.1(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,5-dimethyl-4-(3-propoxypiperidin-1-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCN(CCC#N)C1=NC(=NC=C1Br)NC

DOS

IR

Vibrations