Geometry & MOs

Info

ID:	176338
PubChem CID:	76035121
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	397.200156
ΔH_f, kcal/mol:	-23.45
Dipole, Da:	2.32
IP(EA), eV:	-8.44(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzodioxol-5-yloxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCCC(C1)CNC(=O)C2=NC=CC(=C2)OC3=CC4=C(C=C3)NC=C4

DOS

IR

Vibrations