Geometry & MOs

Info

ID:	276442
PubChem CID:	103823300
Reduced:	O3N5C11H19 (1)
Stoich.:	A3B5C11D19 (1)
Weight, g/mol:	316.05349
ΔH_f, kcal/mol:	-104.88
Dipole, Da:	3.78
IP(EA), eV:	-8.74(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide

Drug info:

PubChemData

Smile

CC(C)(CNC1=NN(C(=O)N(C1=O)C)C)C(=O)NC

DOS

IR

Vibrations