Geometry & MOs

Info

ID:	131655
PubChem CID:	51239140
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	359.155515
ΔH_f, kcal/mol:	-103.69
Dipole, Da:	2.47
IP(EA), eV:	-8.46(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CC(OC2=CC=CC=C21)CN(C)C(=O)CNC(=O)C3=CC=CO3

DOS

IR

Vibrations