Geometry & MOs

Info

ID:	430765
PubChem CID:	135170832
Reduced:	O2F3N4C24H27 (1)
Stoich.:	A2B3C4D24E27 (1)
Weight, g/mol:	195.089543
ΔH_f, kcal/mol:	-191.03
Dipole, Da:	4.29
IP(EA), eV:	-8.82(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1,5,6,7-tetrahydropyrano[3,2-b]pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC(=CC=C2)OC(F)(F)F)C(=O)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations