Geometry & MOs

Info

ID:	367567
PubChem CID:	127325001
Reduced:	O2N5C15H19 (1)
Stoich.:	A2B5C15D19 (1)
Weight, g/mol:	317.131031
ΔH_f, kcal/mol:	-4.0
Dipole, Da:	4.08
IP(EA), eV:	-9.9(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-phenyltetrazol-5-yl)ethyl]thiane-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=CC=CC=C2)NC(=O)C3CCCOC3

DOS

IR

Vibrations