Geometry & MOs

Info

ID:	166292
PubChem CID:	74664620
Reduced:	O2N5C16H23 (1)
Stoich.:	A2B5C16D23 (1)
Weight, g/mol:	441.145973
ΔH_f, kcal/mol:	-59.09
Dipole, Da:	4.14
IP(EA), eV:	-9.3(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)piperidin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1NC(CC(=O)N1)C2CCCN(C2)C(=O)C3=NC=C(N=C3)C

DOS

IR

Vibrations