Geometry & MOs

Info

ID:	355651
PubChem CID:	127289409
Reduced:	SO2N5C18H29 (1)
Stoich.:	AB2C5D18E29 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-71.02
Dipole, Da:	6.38
IP(EA), eV:	-8.79(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)CSCC(=O)N3CCCCC3

DOS

IR

Vibrations