Geometry & MOs

Info

ID:	129689
PubChem CID:	51073561
Reduced:	SN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	337.142641
ΔH_f, kcal/mol:	-44.86
Dipole, Da:	4.43
IP(EA), eV:	-8.49(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyanoanilino)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NCC(=O)NC(C)C2=CC=CS2

DOS

IR

Vibrations