Geometry & MOs

Info

ID:	289103
PubChem CID:	104336006
Reduced:	ClO2N4C13H19 (1)
Stoich.:	AB2C4D13E19 (1)
Weight, g/mol:	312.171689
ΔH_f, kcal/mol:	-66.12
Dipole, Da:	1.15
IP(EA), eV:	-9.34(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(ethoxymethyl)-N-[(1-ethylpiperidin-4-yl)methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)Cl)N2CCCC2C(=O)NC

DOS

IR

Vibrations