Geometry & MOs

Info

ID:	249053
PubChem CID:	103086522
Reduced:	BrO2N6C10H11 (1)
Stoich.:	AB2C6D10E11 (1)
Weight, g/mol:	354.04399
ΔH_f, kcal/mol:	101.29
Dipole, Da:	8.76
IP(EA), eV:	-10.15(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(4-bromo-3-nitrophenyl)tetrazol-5-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=CC(=C(C=C2)Br)[N+](=O)[O-])NC

DOS

IR

Vibrations