Geometry & MOs

Info

ID:	248760
PubChem CID:	103084155
Reduced:	BrN4H9C12 (1)
Stoich.:	AB4C9D12 (1)
Weight, g/mol:	335.06332
ΔH_f, kcal/mol:	89.16
Dipole, Da:	3.13
IP(EA), eV:	-9.66(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-6-[(propan-2-ylamino)methyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC=C(C(=N2)N)C#N

DOS

IR

Vibrations