Geometry & MOs

Info

ID:	307291
PubChem CID:	125299497
Reduced:	BrO2N5H12C16 (1)
Stoich.:	AB2C5D12E16 (1)
Weight, g/mol:	307.108754
ΔH_f, kcal/mol:	66.81
Dipole, Da:	1.17
IP(EA), eV:	-9.1(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-methoxy-5-methylanilino)-6-propyl-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1C2=C(N=N1)OC(=C([C@]23C4=C(C=CC(=C4)Br)N(C3=O)C)C#N)N

DOS

IR

Vibrations