Geometry & MOs

Info

ID:	69506
PubChem CID:	47193680
Reduced:	O2F3N3C11H12 (1)
Stoich.:	A2B3C3D11E12 (1)
Weight, g/mol:	397.99498
ΔH_f, kcal/mol:	-208.04
Dipole, Da:	2.4
IP(EA), eV:	-9.51(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-iodo-2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NCCNC(=O)NC1=C(C(=C(C=C1)F)F)F

DOS

IR

Vibrations