Geometry & MOs

Info

ID:	360711
PubChem CID:	127301356
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	397.181313
ΔH_f, kcal/mol:	-13.18
Dipole, Da:	3.35
IP(EA), eV:	-8.76(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NOC(=N2)CN3CCCCC3CN4CCOCC4

DOS

IR

Vibrations