Geometry & MOs

Info

ID:	418835
PubChem CID:	135106940
Reduced:	OSN4C21H28 (1)
Stoich.:	ABC4D21E28 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-0.95
Dipole, Da:	5.27
IP(EA), eV:	-8.54(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2-(3-propoxypiperidin-1-yl)pyrimidine

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)CCCC4=CC=CS4

DOS

IR

Vibrations