Geometry & MOs

Info

ID:	134254
PubChem CID:	51669800
Reduced:	ON2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	286.08065
ΔH_f, kcal/mol:	-25.36
Dipole, Da:	3.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.068316
Charge, e:	1

Chem-info

IUPAC name:

(5-bromo-2-propan-2-yloxyphenyl)methyl-propylazanium

Drug info:

PubChemData

Smile

C1CC[C@H]([C@H](C1)[NH3+])NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations