Geometry & MOs

Info

ID:	207294
PubChem CID:	80373893
Reduced:	OSF3N5H8C10 (1)
Stoich.:	ABC3D5E8F10 (1)
Weight, g/mol:	231.11201
ΔH_f, kcal/mol:	-95.9
Dipole, Da:	2.62
IP(EA), eV:	-9.32(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-phenylpropyl)-2H-tetrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)C2=NNN=N2)SCC(F)(F)F

DOS

IR

Vibrations