Geometry & MOs

Info

ID:	137175
PubChem CID:	52166351
Reduced:	N3O5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-137.58
Dipole, Da:	3.74
IP(EA), eV:	-8.29(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-methylpiperidin-1-yl)-4-(naphthalen-1-yloxymethyl)pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC=C(C(=N2)COC3=CC4=C(C=C3)OCO4)C(=O)OC

DOS

IR

Vibrations