Geometry & MOs

Info

ID:	342739
PubChem CID:	127265902
Reduced:	ON5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	37.36
Dipole, Da:	5.4
IP(EA), eV:	-8.74(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-benzoylpyrrolidin-3-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CC1CN2CCN(CC2)C3=NN=CC=C3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations