Geometry & MOs

Info

ID:	281809
PubChem CID:	103914399
Reduced:	ON3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	257.119798
ΔH_f, kcal/mol:	-35.95
Dipole, Da:	4.63
IP(EA), eV:	-9.12(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpyrazol-1-yl)ethyl]-1,1-dioxothian-3-amine

Drug info:

PubChemData

Smile

C[C@H](CCO)NC(C)C1=NC=CN1C

DOS

IR

Vibrations