Geometry & MOs

Info

ID:	229322
PubChem CID:	87567407
Reduced:	NO2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	768.25991
ΔH_f, kcal/mol:	-40.8
Dipole, Da:	4.54
IP(EA), eV:	-9.23(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N,1,1,2,2,3,3,3-nonabromopropan-1-amine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=CC2=CC=C(C=C2)/C=C/C(=O)NO)C(=O)NC3CC3

DOS

IR

Vibrations