Geometry & MOs

Info

ID:	248930
PubChem CID:	103085601
Reduced:	ON5C10H19 (1)
Stoich.:	AB5C10D19 (1)
Weight, g/mol:	276.133474
ΔH_f, kcal/mol:	12.93
Dipole, Da:	6.05
IP(EA), eV:	-9.83(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-[1-[(3-nitrophenyl)methyl]tetrazol-5-yl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2CCCC2OC)NC

DOS

IR

Vibrations