Geometry & MOs

Info

ID:	218176
PubChem CID:	85088994
Reduced:	PO5C23H49 (1)
Stoich.:	AB5C23D49 (1)
Weight, g/mol:	436.229683
ΔH_f, kcal/mol:	-357.17
Dipole, Da:	1.24
IP(EA), eV:	-9.61(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butyl-7,9-dimethyl-4,6,6a,8,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)-2-methyl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOCC(CCP(=O)(OC)OC)OC

DOS

IR

Vibrations