Geometry & MOs

Info

ID:	265395
PubChem CID:	103519567
Reduced:	BrO2N4C10H13 (1)
Stoich.:	AB2C4D10E13 (1)
Weight, g/mol:	352.0171
ΔH_f, kcal/mol:	46.49
Dipole, Da:	5.22
IP(EA), eV:	-9.51(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-nitropyridin-4-amine

Drug info:

PubChemData

Smile

C1CC1NCCNC2=C(C=NC=C2[N+](=O)[O-])Br

DOS

IR

Vibrations