Geometry & MOs

Info

ID:	257278
PubChem CID:	103144868
Reduced:	F2N2O2H14C15 (1)
Stoich.:	A2B2C2D14E15 (1)
Weight, g/mol:	354.00376
ΔH_f, kcal/mol:	-68.14
Dipole, Da:	7.73
IP(EA), eV:	-9.05(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-bromothiophen-2-yl)ethyl]-2,5-dimethyl-4-nitroaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NCC2=C(C=CC(=C2)F)F

DOS

IR

Vibrations