Geometry & MOs

Info

ID:	344377
PubChem CID:	127267553
Reduced:	SO3N5C15H19 (1)
Stoich.:	AB3C5D15E19 (1)
Weight, g/mol:	343.16444
ΔH_f, kcal/mol:	-72.12
Dipole, Da:	5.73
IP(EA), eV:	-9.01(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-(5-methoxypyridin-3-yl)piperazin-1-yl]pyrimidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC1=NC=CS1)NC(=O)C2=CC(=O)N(C=N2)C

DOS

IR

Vibrations