Geometry & MOs

Info

ID:	257307
PubChem CID:	103145086
Reduced:	BrFN2O2H14C15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	335.02694
ΔH_f, kcal/mol:	-18.11
Dipole, Da:	6.73
IP(EA), eV:	-9.09(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromopyridin-3-yl)methyl]-2,5-dimethyl-4-nitroaniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations