Geometry & MOs

Info

ID:	248940
PubChem CID:	103085666
Reduced:	O2N5C12H23 (1)
Stoich.:	A2B5C12D23 (1)
Weight, g/mol:	290.149124
ΔH_f, kcal/mol:	-32.53
Dipole, Da:	7.28
IP(EA), eV:	-9.6(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-[1-[2-(4-nitrophenyl)ethyl]tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C)CNC(C)C1=NN=NN1CC2COCCO2

DOS

IR

Vibrations