Geometry & MOs

Info

ID:	337548
PubChem CID:	127258171
Reduced:	ClNOC15H20 (1)
Stoich.:	ABCD15E20 (1)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	-56.18
Dipole, Da:	2.51
IP(EA), eV:	-8.78(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-tert-butyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)OC3=C2CNCC3.Cl

DOS

IR

Vibrations