Geometry & MOs

Info

ID:	209754
PubChem CID:	80714840
Reduced:	SN3O5C10H13 (1)
Stoich.:	AB3C5D10E13 (1)
Weight, g/mol:	245.12766
ΔH_f, kcal/mol:	-114.13
Dipole, Da:	6.02
IP(EA), eV:	-9.87(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-[1-(oxolan-3-yl)tetrazol-5-yl]aniline

Drug info:

PubChemData

Smile

C1COCC1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

DOS

IR

Vibrations