Geometry & MOs

Info

ID:	223558
PubChem CID:	85335229
Reduced:	ClOSN2C24H27 (1)
Stoich.:	ABCD2E24F27 (1)
Weight, g/mol:	427.199488
ΔH_f, kcal/mol:	-0.69
Dipole, Da:	1.63
IP(EA), eV:	-8.7(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dimethoxyphenyl)-7-(3-hydroxy-4,5-dimethoxyphenyl)-1,2,3,5,6,8a-hexahydroindolizin-8-ol

Drug info:

PubChemData

Smile

C1CCN(CC1)CCCN2C(SC(=CC3=CC=CC=C3)C2=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations