Geometry & MOs

Info

ID:	155591
PubChem CID:	56366124
Reduced:	S2N3O3C21H25 (1)
Stoich.:	A2B3C3D21E25 (1)
Weight, g/mol:	398.211804
ΔH_f, kcal/mol:	-92.01
Dipole, Da:	2.39
IP(EA), eV:	-8.54(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)COC2=CC3=C(C4=C2C=CS4)N=C(S3)C

DOS

IR

Vibrations