Geometry & MOs

Info

ID:	289087
PubChem CID:	104335300
Reduced:	ClON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	355.0087
ΔH_f, kcal/mol:	0.22
Dipole, Da:	3.93
IP(EA), eV:	-9.15(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4-methylphenyl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C2=CC(=NC(=N2)COCC)Cl

DOS

IR

Vibrations