Geometry & MOs

Info

ID:	334621
PubChem CID:	127253296
Reduced:	ClNO6C18H20 (1)
Stoich.:	ABC6D18E20 (1)
Weight, g/mol:	417.262757
ΔH_f, kcal/mol:	-211.78
Dipole, Da:	5.41
IP(EA), eV:	-8.88(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2-methoxyethyl)urea

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCO

DOS

IR

Vibrations