Geometry & MOs

Info

ID:	164772
PubChem CID:	74451041
Reduced:	O2N5C24H37 (1)
Stoich.:	A2B5C24D37 (1)
Weight, g/mol:	459.266797
ΔH_f, kcal/mol:	-93.27
Dipole, Da:	6.75
IP(EA), eV:	-8.8(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethyl)-3-[[5-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]thiourea

Drug info:

PubChemData

Smile

CC(C)NC(=O)NCC1CC2CCN1CC2CN3CC4CC(C3)C5=CC=CC(=O)N5C4

DOS

IR

Vibrations