Geometry & MOs

Info

ID:	357061
PubChem CID:	127293130
Reduced:	F2O2N3C20H25 (1)
Stoich.:	A2B2C3D20E25 (1)
Weight, g/mol:	358.156039
ΔH_f, kcal/mol:	-168.36
Dipole, Da:	4.91
IP(EA), eV:	-8.92(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-N-(1-cyclopentylpyrrolidin-3-yl)-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCC(C2)NC(=O)C3CC(=O)N(C3)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations