Geometry & MOs

Info

ID:	357036
PubChem CID:	127293105
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	358.156039
ΔH_f, kcal/mol:	9.87
Dipole, Da:	4.64
IP(EA), eV:	-8.73(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=C(N=N2)C(=O)NC3CCN(C3)C4CCCC4)C

DOS

IR

Vibrations