Geometry & MOs

Info

ID:	275773
PubChem CID:	103817577
Reduced:	BrOSF3N3H9C12 (1)
Stoich.:	ABCD3E3F9G12 (1)
Weight, g/mol:	255.162314
ΔH_f, kcal/mol:	-137.07
Dipole, Da:	3.47
IP(EA), eV:	-9.57(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[(2,6-dimethylphenyl)methylamino]methyl]phenyl]methanol

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)C(F)(F)F)Br

DOS

IR

Vibrations