Geometry & MOs

Info

ID:	157693
PubChem CID:	56436518
Reduced:	O3N5C26H29 (1)
Stoich.:	A3B5C26D29 (1)
Weight, g/mol:	422.12051
ΔH_f, kcal/mol:	-56.25
Dipole, Da:	6.8
IP(EA), eV:	-8.75(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]piperidin-1-yl]-cyclohexylmethanone

Drug info:

PubChemData

Smile

CN(C)CCNC(=O)C1=CC=CC(=C1)CNC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations