Geometry & MOs

Info

ID:	79569
PubChem CID:	49829536
Reduced:	SN2O3C25H28 (1)
Stoich.:	AB2C3D25E28 (1)
Weight, g/mol:	446.194303
ΔH_f, kcal/mol:	-62.92
Dipole, Da:	5.85
IP(EA), eV:	-8.38(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl-[1-[3-(trifluoromethyl)phenyl]ethyl]azanium

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=C(CC(=O)NC2CCCCC2)C3=NC4=CC=CC=C4S3)OC

DOS

IR

Vibrations