Geometry & MOs

Info

ID:	178692
PubChem CID:	76368879
Reduced:	NO5C23H27 (1)
Stoich.:	AB5C23D27 (1)
Weight, g/mol:	506.235162
ΔH_f, kcal/mol:	-167.51
Dipole, Da:	2.59
IP(EA), eV:	-9.03(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1-hydroxyethyl)-4-oxo-11-phenyl-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-(2-methoxyethyl)-1-methylthiourea

Drug info:

PubChemData

Smile

COC(=O)N1CC(C2CC1C3=CC=CC=C3O2)OCCCOCC4=CC=CC=C4

DOS

IR

Vibrations