Geometry & MOs

Info

ID:	363891
PubChem CID:	127313548
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	375.252192
ΔH_f, kcal/mol:	-78.88
Dipole, Da:	7.32
IP(EA), eV:	-8.66(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC=C2C(=O)NCCN3CCN(CC3)C(=O)C4CCC4

DOS

IR

Vibrations