Geometry & MOs

Info

ID:	356667
PubChem CID:	127292148
Reduced:	SN3O3C14H25 (1)
Stoich.:	AB3C3D14E25 (1)
Weight, g/mol:	320.23246
ΔH_f, kcal/mol:	-148.56
Dipole, Da:	7.83
IP(EA), eV:	-8.88(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylpiperazin-1-yl)-N-(2-imidazol-1-ylethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCC(C2)NC(=O)NC3CCS(=O)(=O)C3

DOS

IR

Vibrations