Geometry & MOs

Info

ID:	365577
PubChem CID:	127318070
Reduced:	SO2N4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	351.263425
ΔH_f, kcal/mol:	-46.1
Dipole, Da:	4.35
IP(EA), eV:	-8.8(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclobutyl-N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)NC3CCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations