Geometry & MOs

Info

ID:	231833
PubChem CID:	87574741
Reduced:	INO4C5H13 (1)
Stoich.:	ABC4D5E13 (1)
Weight, g/mol:	199.95405
ΔH_f, kcal/mol:	-26.23
Dipole, Da:	15.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.331076
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-1-benzoselenophene

Drug info:

PubChemData

Smile

C[N+](C)(C)CCOI(=O)(=O)=O

DOS

IR

Vibrations