Geometry & MOs

Info

ID:	25568
PubChem CID:	626462
Reduced:	ClN2O2H13C18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	295.072369
ΔH_f, kcal/mol:	40.82
Dipole, Da:	4.42
IP(EA), eV:	-9.42(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C#CCN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3

DOS

IR

Vibrations