Geometry & MOs

Info

ID:	202377
PubChem CID:	79664977
Reduced:	BrON4C15H23 (1)
Stoich.:	ABC4D15E23 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	1.99
Dipole, Da:	3.24
IP(EA), eV:	-8.53(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)N1CCOC(C1)C2=NC(=C(C(=N2)NC)Br)C3CC3

DOS

IR

Vibrations