Geometry & MOs

Info

ID:	245943
PubChem CID:	103030793
Reduced:	SO2N3C15H27 (1)
Stoich.:	AB2C3D15E27 (1)
Weight, g/mol:	279.267448
ΔH_f, kcal/mol:	-72.79
Dipole, Da:	7.62
IP(EA), eV:	-9.17(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpyrazol-3-yl)-N,4-dipropylheptan-3-amine

Drug info:

PubChemData

Smile

CCCNC(CCC1=CC=NN1C)C2CCCCS2(=O)=O

DOS

IR

Vibrations