Geometry & MOs

Info

ID:	210184
PubChem CID:	80771368
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	368.04034
ΔH_f, kcal/mol:	3.52
Dipole, Da:	2.43
IP(EA), eV:	-8.6(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-bromo-2-chlorophenyl)-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC=CC(=N1)NCCC2=CC=C(C=C2)OC

DOS

IR

Vibrations