Geometry & MOs

Info

ID:	248754
PubChem CID:	103084139
Reduced:	BrN2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	319.03202
ΔH_f, kcal/mol:	28.69
Dipole, Da:	2.94
IP(EA), eV:	-9.64(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=N2)C(C3=CC=CC=C3)O

DOS

IR

Vibrations