Geometry & MOs

Info

ID:	259592
PubChem CID:	103168841
Reduced:	ON3C17H31 (1)
Stoich.:	AB3C17D31 (1)
Weight, g/mol:	291.267448
ΔH_f, kcal/mol:	-40.25
Dipole, Da:	4.08
IP(EA), eV:	-9.05(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclobutyl-3-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine

Drug info:

PubChemData

Smile

CCC(CC)N1C=CC(=N1)CC(CC2CC(C2)OCC)N

DOS

IR

Vibrations