Geometry & MOs

Info

ID:	155539
PubChem CID:	56365875
Reduced:	SO2N4C23H28 (1)
Stoich.:	AB2C4D23E28 (1)
Weight, g/mol:	438.299476
ΔH_f, kcal/mol:	-11.2
Dipole, Da:	1.37
IP(EA), eV:	-8.53(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-propylacetamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)C3=CC4=C(S3)N(N=C4C)C

DOS

IR

Vibrations