Geometry & MOs

Info

ID:	137018
PubChem CID:	52139013
Reduced:	SN4C13H24 (1)
Stoich.:	AB4C13D24 (1)
Weight, g/mol:	331.146681
ΔH_f, kcal/mol:	41.39
Dipole, Da:	4.59
IP(EA), eV:	-8.66(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-propyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN=C(N1CC=C)SCCN(C)C

DOS

IR

Vibrations