Geometry & MOs

Info

ID:	153577
PubChem CID:	56312830
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	457.151235
ΔH_f, kcal/mol:	-27.5
Dipole, Da:	4.48
IP(EA), eV:	-8.66(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations