Geometry & MOs

Info

ID:	199919
PubChem CID:	79317376
Reduced:	O2N3C4H6 (2)
Stoich.:	A2B3C4D6 (2)
Weight, g/mol:	267.052302
ΔH_f, kcal/mol:	-100.51
Dipole, Da:	4.68
IP(EA), eV:	-11.0(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(3-chloropyridin-4-yl)methyl]tetrazole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN=NN1CCC(=O)NC(=O)N

DOS

IR

Vibrations