Geometry & MOs

Info

ID:	344378
PubChem CID:	127267554
Reduced:	O3N5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	264.158626
ΔH_f, kcal/mol:	-44.55
Dipole, Da:	3.0
IP(EA), eV:	-8.67(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(4-propan-2-ylpiperazin-1-yl)pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC=CC(=N1)N2CCN(CC2)C3=CC(=CN=C3)OC

DOS

IR

Vibrations