Geometry & MOs

Info

ID:	248871
PubChem CID:	103085116
Reduced:	ClO2N5C13H18 (1)
Stoich.:	AB2C5D13E18 (1)
Weight, g/mol:	234.086524
ΔH_f, kcal/mol:	4.82
Dipole, Da:	9.62
IP(EA), eV:	-9.27(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(C)C1=NN=NN1C2=CC(=C(C=C2OC)OC)Cl

DOS

IR

Vibrations