Geometry & MOs

Info

ID:	245944
PubChem CID:	103030808
Reduced:	N3C17H33 (1)
Stoich.:	A3B17C33 (1)
Weight, g/mol:	277.161269
ΔH_f, kcal/mol:	-15.03
Dipole, Da:	2.38
IP(EA), eV:	-9.01(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine

Drug info:

PubChemData

Smile

CCCC(CCC)C(CCC1=CC=NN1C)NCCC

DOS

IR

Vibrations