Geometry & MOs

Info

ID:	245942
PubChem CID:	103030792
Reduced:	ON3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	313.182398
ΔH_f, kcal/mol:	-28.62
Dipole, Da:	2.27
IP(EA), eV:	-9.43(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxothian-2-yl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine

Drug info:

PubChemData

Smile

CC(CC(CCC1=CC=NN1C)N)COC

DOS

IR

Vibrations