Geometry & MOs

Info

ID:	289665
PubChem CID:	104364624
Reduced:	ClNOC18H26 (1)
Stoich.:	ABCD18E26 (1)
Weight, g/mol:	357.0495
ΔH_f, kcal/mol:	-53.2
Dipole, Da:	1.82
IP(EA), eV:	-8.63(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(2-chloroethyl)piperidine

Drug info:

PubChemData

Smile

CC(C)(C)NCC1(CCC1)CC2=CC(=CC3=C2OCC3)Cl

DOS

IR

Vibrations