Geometry & MOs

Info

ID:	29624
PubChem CID:	835875
Reduced:	O2H9C11 (2)
Stoich.:	A2B9C11 (2)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	-80.87
Dipole, Da:	3.73
IP(EA), eV:	-9.63(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-(4,6-dimethylpyrimidin-2-yl)benzamide

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations