Geometry & MOs

Info

ID:	44200
PubChem CID:	10501962
Reduced:	ClN2O4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	414.82412
ΔH_f, kcal/mol:	-124.42
Dipole, Da:	7.08
IP(EA), eV:	-8.47(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1,3-dibromo-2-(bromomethyl)propan-2-yl]-4-nitrobenzene

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C3=C(N2)C(NCC3)(CC4=CC(=C(C=C4)OC)OC)C(=O)O)Cl

DOS

IR

Vibrations