Geometry & MOs

Info

ID:	273025
PubChem CID:	103770342
Reduced:	F2O2N5C11H11 (1)
Stoich.:	A2B2C5D11E11 (1)
Weight, g/mol:	289.094806
ΔH_f, kcal/mol:	-87.49
Dipole, Da:	6.53
IP(EA), eV:	-10.06(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-difluoro-2-hydroxypropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NNN=N2)C(=O)NCC(C(F)F)O

DOS

IR

Vibrations