Geometry & MOs

Info

ID:	166491
PubChem CID:	74699419
Reduced:	SO3N4C28H37 (1)
Stoich.:	AB3C4D28E37 (1)
Weight, g/mol:	460.287198
ΔH_f, kcal/mol:	-83.58
Dipole, Da:	4.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.118799
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(diethylamino)ethyl]-1-[(6-methoxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-3-(4-methylphenyl)thiourea

Drug info:

PubChemData

Smile

CC[NH+](CC)CCCN(CC1C=C2C(=CC(=CC2=NC1=O)C)C)C(=S)NC3=CC=CC=C3C(=O)OC

DOS

IR

Vibrations