Geometry & MOs

Info

ID:	255858
PubChem CID:	103135237
Reduced:	N3C15H29 (1)
Stoich.:	A3B15C29 (1)
Weight, g/mol:	259.135448
ΔH_f, kcal/mol:	-4.59
Dipole, Da:	1.98
IP(EA), eV:	-8.69(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-3-yl)-2-methylsulfonyl-N-propylpropan-1-amine

Drug info:

PubChemData

Smile

CCCC(CCC)C(C1=NN(C=C1)C)NCCC

DOS

IR

Vibrations