Geometry & MOs

Info

ID:	192030
PubChem CID:	78215561
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	497.214841
ΔH_f, kcal/mol:	-34.35
Dipole, Da:	9.99
IP(EA), eV:	-9.04(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-ylmethyl)-1-[(6,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)thiourea

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2CC(NN2)C(=O)NN=CC3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations