Geometry & MOs

Info

ID:	130157
PubChem CID:	51075085
Reduced:	ON7H15C16 (1)
Stoich.:	AB7C15D16 (1)
Weight, g/mol:	247.0667
ΔH_f, kcal/mol:	111.53
Dipole, Da:	5.17
IP(EA), eV:	-9.19(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-methylfuran-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CN3C=NN=C3C#N

DOS

IR

Vibrations