Geometry & MOs

Info

ID:	304526
PubChem CID:	124756163
Reduced:	NO4H23C28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	314.185509
ΔH_f, kcal/mol:	-79.76
Dipole, Da:	2.27
IP(EA), eV:	-8.89(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-benzyl-N-[2-(tetrazol-1-yl)ethyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@@H](C=C[C@H]([C@@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations