Geometry & MOs

Info

ID:	76385
PubChem CID:	48424858
Reduced:	ClN2O5C21H23 (1)
Stoich.:	AB2C5D21E23 (1)
Weight, g/mol:	293.14495
ΔH_f, kcal/mol:	-177.19
Dipole, Da:	5.51
IP(EA), eV:	-8.96(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

DOS

IR

Vibrations