Geometry & MOs

Info

ID:	157455
PubChem CID:	56430264
Reduced:	SN3O3C22H23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	405.155178
ΔH_f, kcal/mol:	-23.71
Dipole, Da:	3.54
IP(EA), eV:	-8.44(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=C/C(=O)NCC2=NC(=CS2)C3=CC=NC=C3)OCC

DOS

IR

Vibrations