Geometry & MOs

Info

ID:	289096
PubChem CID:	104335522
Reduced:	ClON4C15H27 (1)
Stoich.:	ABC4D15E27 (1)
Weight, g/mol:	307.108754
ΔH_f, kcal/mol:	-46.63
Dipole, Da:	7.04
IP(EA), eV:	-8.94(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(ethoxymethyl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)Cl)NCCN(C(C)C)C(C)C

DOS

IR

Vibrations