Geometry & MOs

Info

ID:	337543
PubChem CID:	127258166
Reduced:	ClN3C16H24 (1)
Stoich.:	AB3C16D24 (1)
Weight, g/mol:	207.045092
ΔH_f, kcal/mol:	-7.08
Dipole, Da:	5.06
IP(EA), eV:	-8.2(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCCN1C2=C(CCCC2)C3=C1C=CN=C3.Cl

DOS

IR

Vibrations