Geometry & MOs

Info

ID:	132237
PubChem CID:	51327513
Reduced:	NO3C23H27 (1)
Stoich.:	AB3C23D27 (1)
Weight, g/mol:	331.124215
ΔH_f, kcal/mol:	-112.12
Dipole, Da:	3.28
IP(EA), eV:	-8.89(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCC(CC2)C3=CC=C(C=C3)O)C

DOS

IR

Vibrations