Geometry & MOs

Info

ID:	155686
PubChem CID:	56366897
Reduced:	N2O3C23H28 (1)
Stoich.:	A2B3C23D28 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-93.9
Dipole, Da:	3.87
IP(EA), eV:	-8.81(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)C(C2=CC=CC=C2)OC3=CC=CC=C3

DOS

IR

Vibrations