Geometry & MOs

Info

ID:	207208
PubChem CID:	80361663
Reduced:	N2O2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	242.091609
ΔH_f, kcal/mol:	-37.42
Dipole, Da:	2.5
IP(EA), eV:	-8.56(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-cyanophenyl)ethyl]-2H-tetrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1COCC1C2=NC3=C(C=CC=C3O2)N

DOS

IR

Vibrations