Geometry & MOs

Info

ID:	398878
PubChem CID:	135035986
Reduced:	O2C11H14 (2)
Stoich.:	A2B11C14 (2)
Weight, g/mol:	593.193553
ΔH_f, kcal/mol:	-133.79
Dipole, Da:	0.21
IP(EA), eV:	-9.55(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,5-bis(trifluoromethyl)phenyl]-3-[(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(7-methoxynaphthalen-1-yl)methyl]thiourea

Drug info:

PubChemData

Smile

COCOC1(CCC(CC1)(C2=CC=CC=C2)OCOC)C3=CC=CC=C3

DOS

IR

Vibrations