Geometry & MOs

Info

ID:	210611
PubChem CID:	80830555
Reduced:	BrO2N5C13H16 (1)
Stoich.:	AB2C5D13E16 (1)
Weight, g/mol:	350.07422
ΔH_f, kcal/mol:	-25.59
Dipole, Da:	1.86
IP(EA), eV:	-8.89(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2-bromo-5-methoxyphenyl)-6-N,5-diethylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC(C)OC1=NC(=NC(=N1)NC2=C(C=CC(=C2)OC)Br)N

DOS

IR

Vibrations