Geometry & MOs

Info

ID:	210939
PubChem CID:	80874253
Reduced:	ClON4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	307.108754
ΔH_f, kcal/mol:	9.72
Dipole, Da:	2.23
IP(EA), eV:	-9.5(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-ethyl-4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)Cl)OC2=CC=CC(=C2)C(C)(C)C

DOS

IR

Vibrations