Geometry & MOs

Info

ID:	130009
PubChem CID:	51074590
Reduced:	SN3O3C15H21 (1)
Stoich.:	AB3C3D15E21 (1)
Weight, g/mol:	306.169191
ΔH_f, kcal/mol:	-122.3
Dipole, Da:	2.89
IP(EA), eV:	-9.2(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCC(C)(C)NC(=O)CN1C(=O)C(NC1=O)(C)C2=CC=CS2

DOS

IR

Vibrations