Geometry & MOs

Info

ID:	159551
PubChem CID:	57288445
Reduced:	O3C18H28 (1)
Stoich.:	A3B18C28 (1)
Weight, g/mol:	426.281718
ΔH_f, kcal/mol:	-149.63
Dipole, Da:	3.44
IP(EA), eV:	-9.96(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6aR,10aR)-5,7-dipropyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-4-yl]-1,1-diethylthiourea

Drug info:

PubChemData

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C[C@@]12CC[C@@H]([C@H]([C@@H]1CC2=O)C=C[C@@H](CC3CCCC3)O)O

DOS

IR

Vibrations