Geometry & MOs

Info

ID:	258441
PubChem CID:	103154060
Reduced:	N2O3C10H20 (1)
Stoich.:	A2B3C10D20 (1)
Weight, g/mol:	254.108899
ΔH_f, kcal/mol:	-141.54
Dipole, Da:	3.19
IP(EA), eV:	-9.28(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(=O)CC(CN)OC

DOS

IR

Vibrations