Geometry & MOs

Info

ID:	307456
PubChem CID:	125299979
Reduced:	ClN3O3H10C13 (1)
Stoich.:	AB3C3D10E13 (1)
Weight, g/mol:	387.03309
ΔH_f, kcal/mol:	35.26
Dipole, Da:	8.09
IP(EA), eV:	-9.11(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[5-methyl-2-(4-methyl-6-oxo-5H-pyrimidin-2-yl)pyrazol-3-yl]benzamide

Drug info:

PubChemData

Smile

COC(=O)CN1CN=C2C3=C(C=CC(=C3)Cl)N=C2C1=O

DOS

IR

Vibrations