Geometry & MOs

Info

ID:	446429
PubChem CID:	135274909
Reduced:	OF4N4H20C22 (1)
Stoich.:	AB4C4D20E22 (1)
Weight, g/mol:	166.110613
ΔH_f, kcal/mol:	-141.92
Dipole, Da:	4.81
IP(EA), eV:	-9.38(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

amino-(4-amino-3,5-dimethylphenyl)methanol

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)F)C2=CC(=C(C=C2)C(=O)N[C@@H]3CNCC[C@H]3C4=CC(=C(C=C4)F)F)F

DOS

IR

Vibrations