Geometry & MOs

Info

ID:	357282
PubChem CID:	127293915
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	350.243024
ΔH_f, kcal/mol:	-41.07
Dipole, Da:	7.34
IP(EA), eV:	-8.06(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylpiperazin-1-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)NC(=O)NC3CCN(C3)C4=CC=CC=C4)OC1

DOS

IR

Vibrations