Geometry & MOs

Info

ID:	201559
PubChem CID:	79556265
Reduced:	BrN3O3H8C10 (1)
Stoich.:	AB3C3D8E10 (1)
Weight, g/mol:	304.097855
ΔH_f, kcal/mol:	35.59
Dipole, Da:	3.45
IP(EA), eV:	-9.66(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-nitrophenyl)-2-phenylbutan-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])C2=C(C(=NO2)N)Br

DOS

IR

Vibrations