Geometry & MOs

Info

ID:	198636
PubChem CID:	79128062
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	257.04153
ΔH_f, kcal/mol:	-127.24
Dipole, Da:	1.6
IP(EA), eV:	-10.78(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(2-bromophenyl)-3-methylbutan-2-ol

Drug info:

PubChemData

Smile

CCC1CCC(C1)(C#N)C(C(=O)OC)O

DOS

IR

Vibrations