Geometry & MOs

Info

ID:	210955
PubChem CID:	80876630
Reduced:	ClON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	326.9774
ΔH_f, kcal/mol:	-1.04
Dipole, Da:	2.73
IP(EA), eV:	-8.66(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-[(4-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)OCC2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations