Geometry & MOs

Info

ID:	350048
PubChem CID:	127276921
Reduced:	ClO2N4C20H31 (1)
Stoich.:	AB2C4D20E31 (1)
Weight, g/mol:	389.231456
ΔH_f, kcal/mol:	-89.96
Dipole, Da:	2.86
IP(EA), eV:	-8.98(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(C)C(=O)NC3=NC=C(C=C3)Cl

DOS

IR

Vibrations