Geometry & MOs

Info

ID:	271049
PubChem CID:	103641256
Reduced:	BrN2O3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	270.230728
ΔH_f, kcal/mol:	-3.09
Dipole, Da:	3.03
IP(EA), eV:	-8.98(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]ethyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNCC2=C(C=CC(=C2)Br)O)[N+](=O)[O-]

DOS

IR

Vibrations