Geometry & MOs

Info

ID:	210224
PubChem CID:	80776549
Reduced:	BrN4C10H15 (1)
Stoich.:	AB4C10D15 (1)
Weight, g/mol:	295.16444
ΔH_f, kcal/mol:	53.66
Dipole, Da:	2.44
IP(EA), eV:	-8.66(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[5-nitro-6-(propylamino)pyrimidin-4-yl]piperidin-2-yl]methanol

Drug info:

PubChemData

Smile

CCN(C1CC1)C2=NC(=NC=C2Br)NC

DOS

IR

Vibrations