Geometry & MOs

Info

ID:	248931
PubChem CID:	103085611
Reduced:	ON3C6H8 (2)
Stoich.:	AB3C6D8 (2)
Weight, g/mol:	283.100001
ΔH_f, kcal/mol:	81.99
Dipole, Da:	3.39
IP(EA), eV:	-9.86(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-yl]-N-ethylethanamine

Drug info:

PubChemData

Smile

CCNC(C)C1=NN=NN1CC2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations