Geometry & MOs

Info

ID:	139682
PubChem CID:	52580139
Reduced:	ClNF2O2C17H18 (1)
Stoich.:	ABC2D2E17F18 (1)
Weight, g/mol:	386.05672
ΔH_f, kcal/mol:	-144.66
Dipole, Da:	4.54
IP(EA), eV:	-8.89(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-bromophenyl)methyl-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-methylazanium

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)Cl)CC2=CC(=C(C=C2)OC)OC(F)F

DOS

IR

Vibrations