Geometry & MOs

Info

ID:	429371
PubChem CID:	135169394
Reduced:	ClSO3N7C23H26 (1)
Stoich.:	ABC3D7E23F26 (1)
Weight, g/mol:	277.27695
ΔH_f, kcal/mol:	-4.87
Dipole, Da:	3.65
IP(EA), eV:	-8.14(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclobutylcycloheptyl)-1-propan-2-ylpiperidine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC2=NC=CC(=N2)COC3=C(C4=C(C(=C3)OC)N=C(S4)NC5CCCC[C@@H]5O)Cl

DOS

IR

Vibrations