Geometry & MOs

Info

ID:	12172
PubChem CID:	131860
Reduced:	OBr2N4H10C11 (1)
Stoich.:	AB2C4D10E11 (1)
Weight, g/mol:	373.92009
ΔH_f, kcal/mol:	26.42
Dipole, Da:	9.19
IP(EA), eV:	-9.2(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-[(5-bromopyridin-3-yl)methylamino]-2-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NC(=O)C(=C(N1)NCC2=CC(=CN=C2)Br)Br

DOS

IR

Vibrations