Geometry & MOs

Info

ID:	367566
PubChem CID:	127324995
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	-43.46
Dipole, Da:	5.97
IP(EA), eV:	-9.14(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-phenyltetrazol-5-yl)ethyl]oxane-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)N2CCCC(C2)C(=O)NCC3=CC(=CC=C3)N4C=CN=C4

DOS

IR

Vibrations