Geometry & MOs

Info

ID:	350649
PubChem CID:	127278684
Reduced:	ON4C20H26 (1)
Stoich.:	AB4C20D26 (1)
Weight, g/mol:	371.268511
ΔH_f, kcal/mol:	7.45
Dipole, Da:	2.98
IP(EA), eV:	-9.25(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclobutyl-N-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]methyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C2CCCN2C(=O)NCC3=CC(=CC=C3)CN4C=CN=C4

DOS

IR

Vibrations