Geometry & MOs

Info

ID:	24567
PubChem CID:	611180
Reduced:	NOC9H11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	298.168128
ΔH_f, kcal/mol:	-65.02
Dipole, Da:	2.6
IP(EA), eV:	-8.27(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1,2,3,5,6,11-hexahydroindolizino[8,7-b]indol-11b-yl)propanoate

Drug info:

PubChemData

Smile

COC(=O)CCC12CCCN1CCC3=C2NC4=CC=CC=C34

DOS

IR

Vibrations