Geometry & MOs

Info

ID:	137015
PubChem CID:	52138429
Reduced:	SN4C12H24 (1)
Stoich.:	AB4C12D24 (1)
Weight, g/mol:	432.230745
ΔH_f, kcal/mol:	18.61
Dipole, Da:	5.84
IP(EA), eV:	-8.58(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-piperidin-1-yl-4-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCCN1C(=NN=C1SCCN(C)C)C(C)C

DOS

IR

Vibrations