Geometry & MOs

Info

ID:	430767
PubChem CID:	135170834
Reduced:	O2F3N4C24H27 (1)
Stoich.:	A2B3C4D24E27 (1)
Weight, g/mol:	169.053907
ΔH_f, kcal/mol:	-187.06
Dipole, Da:	3.67
IP(EA), eV:	-9.24(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5,6,7-tetrahydropyrano[3,2-b]pyrrole-2-carbonyl fluoride

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC(=CC=C2)OC(F)(F)F)C(=O)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations