Geometry & MOs

Info

ID:	14910
PubChem CID:	423979
Reduced:	Cl2O2N4H16C19 (1)
Stoich.:	A2B2C4D16E19 (1)
Weight, g/mol:	402.065031
ΔH_f, kcal/mol:	-8.08
Dipole, Da:	7.19
IP(EA), eV:	-9.11(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(N=C(N=C2N)N)COC3=CC=C(C=C3)C(=O)CCl)Cl

DOS

IR

Vibrations