Geometry & MOs

Info

ID:	405520
PubChem CID:	135074306
Reduced:	SN3O3F8H13C23 (1)
Stoich.:	AB3C3D8E13F23 (1)
Weight, g/mol:	283.193614
ΔH_f, kcal/mol:	-369.22
Dipole, Da:	5.35
IP(EA), eV:	-9.37(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-2-methyl-N-(3-methyl-1-phenylbutan-2-yl)aniline

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)NC4=C(C(=C(C(=C4F)F)F)F)F)C(F)(F)F

DOS

IR

Vibrations