Geometry & MOs

Info

ID:	68351
PubChem CID:	46508237
Reduced:	F3O3N6H17C20 (1)
Stoich.:	A3B3C6D17E20 (1)
Weight, g/mol:	330.103814
ΔH_f, kcal/mol:	-159.33
Dipole, Da:	5.69
IP(EA), eV:	-9.7(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC(=NN12)C(F)(F)F)C)CC(=O)OC(C)C(=O)NC3=CC=CC(=C3)C#N

DOS

IR

Vibrations