Geometry & MOs

Info

ID:	326276
PubChem CID:	126687267
Reduced:	NO2C24H31 (1)
Stoich.:	AB2C24D31 (1)
Weight, g/mol:	197.12766
ΔH_f, kcal/mol:	-81.68
Dipole, Da:	2.58
IP(EA), eV:	-8.81(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dihydrotetrazol-1-yl)-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2(C[C@@H]3CN(C[C@@H]3C2)CC(C)C4=CC=C(C=C4)O)O

DOS

IR

Vibrations