Geometry & MOs

Info

ID:	356993
PubChem CID:	127293059
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	344.257612
ΔH_f, kcal/mol:	-67.25
Dipole, Da:	2.74
IP(EA), eV:	-8.69(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-(1-cyclopentylpyrrolidin-3-yl)-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCC(C2)NC(=O)CC3=CSC(=N3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations