Geometry & MOs

Info

ID:	265386
PubChem CID:	103519290
Reduced:	BrO2N3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	404.89468
ΔH_f, kcal/mol:	17.03
Dipole, Da:	6.13
IP(EA), eV:	-9.55(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-nitropyridin-4-amine

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCNC2=C(C=NC=C2[N+](=O)[O-])Br

DOS

IR

Vibrations