Geometry & MOs

Info

ID:	326675
PubChem CID:	126687985
Reduced:	BrF3O3N4H24C29 (1)
Stoich.:	AB3C3D4E24F29 (1)
Weight, g/mol:	271.157229
ΔH_f, kcal/mol:	-140.46
Dipole, Da:	4.09
IP(EA), eV:	-8.97(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-aminophenyl)-(4-butoxyphenyl)methanol

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C#N)C(F)(F)F)O)Br

DOS

IR

Vibrations