Geometry & MOs

Info

ID:	19664
PubChem CID:	569959
Reduced:	ON5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	245.12766
ΔH_f, kcal/mol:	56.37
Dipole, Da:	5.64
IP(EA), eV:	-9.57(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-butyltetrazol-5-yl)benzamide

Drug info:

PubChemData

Smile

CCCCN1N=C(N=N1)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations