Geometry & MOs

Info

ID:	196553
PubChem CID:	78846975
Reduced:	OSN5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	420.10486
ΔH_f, kcal/mol:	36.0
Dipole, Da:	1.42
IP(EA), eV:	-8.85(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-(4-bromophenyl)cyclobutanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CN2CCN(CC2)C3=C4C=CSC4=NC=N3

DOS

IR

Vibrations