Geometry & MOs

Info

ID:	248980
PubChem CID:	103086028
Reduced:	FO2N6C10H11 (1)
Stoich.:	AB2C6D10E11 (1)
Weight, g/mol:	294.124052
ΔH_f, kcal/mol:	53.8
Dipole, Da:	5.22
IP(EA), eV:	-10.16(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(2-fluoro-4-nitrophenyl)tetrazol-5-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations