Geometry & MOs

Info

ID:	190936
PubChem CID:	78080630
Reduced:	SN2O2C22H24 (1)
Stoich.:	AB2C2D22E24 (1)
Weight, g/mol:	253.19026
ΔH_f, kcal/mol:	-21.41
Dipole, Da:	2.35
IP(EA), eV:	-8.44(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,4-trimethyl-1-[3-(tetrazol-1-yl)propyl]piperidin-4-ol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=C(C=C3C=CC(=CC3=N2)SC)CN4CCC(C4)O

DOS

IR

Vibrations