Geometry & MOs

Info

ID:	185522
PubChem CID:	77309671
Reduced:	N4O4H20C21 (1)
Stoich.:	A4B4C20D21 (1)
Weight, g/mol:	438.215472
ΔH_f, kcal/mol:	-62.94
Dipole, Da:	5.14
IP(EA), eV:	-9.44(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,3-benzodioxol-5-ylamino)methyl]-5-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-2-one

Drug info:

PubChemData

Smile

CC1CC2=C(CN1C(=O)C3CC3)N=CN=C2OC4=CC5=C(C=C4)N(C=C5)C(=O)O

DOS

IR

Vibrations