Geometry & MOs

Info

ID:	186435
PubChem CID:	77432345
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	254.96434
ΔH_f, kcal/mol:	-47.06
Dipole, Da:	1.6
IP(EA), eV:	-9.36(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-methyl-4aH-pyrido[3,4-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NC(=O)C1=CC=C(C=C1)C2=CN=CN2

DOS

IR

Vibrations