Geometry & MOs

Info

ID:	210046
PubChem CID:	80753628
Reduced:	ON5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	299.03817
ΔH_f, kcal/mol:	-24.82
Dipole, Da:	6.43
IP(EA), eV:	-8.48(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-5-bromopyrimidin-4-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCNC1=C(C(=NC=N1)N2CCC(CC2)C(=O)N)C

DOS

IR

Vibrations