Geometry & MOs

Info

ID:	289107
PubChem CID:	104336197
Reduced:	ClON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	269.12949
ΔH_f, kcal/mol:	4.28
Dipole, Da:	5.04
IP(EA), eV:	-9.12(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-(methoxymethyl)pyrimidine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N(C)C2=CC(=NC(=N2)COC)Cl

DOS

IR

Vibrations