Geometry & MOs

Info

ID:	192037
PubChem CID:	78217684
Reduced:	ON6C24H40 (1)
Stoich.:	AB6C24D40 (1)
Weight, g/mol:	539.245392
ΔH_f, kcal/mol:	-37.73
Dipole, Da:	3.85
IP(EA), eV:	-8.99(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-1-[(7-oxo-3,4a,5,5a,6,8,9,9a,10,10a-decahydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]thiourea

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(C2CC3CC(CCC3NC2=O)C)C4=NN=NN4C5CCCCC5

DOS

IR

Vibrations