Geometry & MOs

Info

ID:	357046
PubChem CID:	127293115
Reduced:	OSN6C15H20 (1)
Stoich.:	ABC6D15E20 (1)
Weight, g/mol:	318.241962
ΔH_f, kcal/mol:	36.83
Dipole, Da:	1.69
IP(EA), eV:	-8.8(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopentylpyrrolidin-3-yl)-3-(3,5-dimethylpyrazol-1-yl)butanamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCC(C2)NC(=O)C3=CSC(=N3)C4=NC=NN4

DOS

IR

Vibrations