Geometry & MOs

Info

ID:	19510
PubChem CID:	566486
Reduced:	O2N6C13H16 (1)
Stoich.:	A2B6C13D16 (1)
Weight, g/mol:	288.133474
ΔH_f, kcal/mol:	96.17
Dipole, Da:	9.66
IP(EA), eV:	-8.9(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-[1-(4-nitrophenyl)tetrazol-5-yl]ethenamine

Drug info:

PubChemData

Smile

CCN(CC)C=CC1=NN=NN1C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations