Geometry & MOs

Info

ID:	178934
PubChem CID:	76402903
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	312.147393
ΔH_f, kcal/mol:	37.96
Dipole, Da:	8.33
IP(EA), eV:	-8.87(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzodioxol-5-yl)-1-(pyridin-2-ylmethyl)piperidin-3-ol

Drug info:

PubChemData

Smile

CN1C=CN=C1C(=O)C2CCCN(C2)CC3=CC4=CC(=C)C=CC4=NC3=O

DOS

IR

Vibrations