Geometry & MOs

Info

ID:	74945
PubChem CID:	48422735
Reduced:	NSO2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	279.1293
ΔH_f, kcal/mol:	-36.81
Dipole, Da:	2.04
IP(EA), eV:	-8.21(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1SCC=C)OCC2CC2

DOS

IR

Vibrations