Geometry & MOs

Info

ID:	288406
PubChem CID:	104316320
Reduced:	BrON4C11H11 (1)
Stoich.:	ABC4D11E11 (1)
Weight, g/mol:	336.05857
ΔH_f, kcal/mol:	34.09
Dipole, Da:	7.89
IP(EA), eV:	-9.68(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromopyridin-2-yl)-6-[(tert-butylamino)methyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CNCC1=CC(=O)N=C(N1)C2=NC=C(C=C2)Br

DOS

IR

Vibrations