Geometry & MOs

Info

ID:	312072
PubChem CID:	126602374
Reduced:	BrNOF4H12C14 (1)
Stoich.:	ABCD4E12F14 (1)
Weight, g/mol:	641.299842
ΔH_f, kcal/mol:	-193.33
Dipole, Da:	1.35
IP(EA), eV:	-10.01(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol;[3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate

Drug info:

PubChemData

Smile

C1C(C1C(=O)N2CC(C2)F)C3=CC(=C(C=C3)Br)C(F)(F)F

DOS

IR

Vibrations