Geometry & MOs

Info

ID:	165746
PubChem CID:	74591065
Reduced:	FNO4H18C19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	456.03607
ΔH_f, kcal/mol:	-140.01
Dipole, Da:	2.4
IP(EA), eV:	-8.73(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3,5-dibromo-2-propoxyphenyl)methyl-(4-phenylbutan-2-yl)azanium

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)NCC2=CC3=C(C=C2)OCCO3)F

DOS

IR

Vibrations