Geometry & MOs

Info

ID:	402841
PubChem CID:	135057463
Reduced:	NOF7H8C15 (1)
Stoich.:	ABC7D8E15 (1)
Weight, g/mol:	329.13921
ΔH_f, kcal/mol:	-359.11
Dipole, Da:	7.23
IP(EA), eV:	-9.67(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(E)-2-diethoxyphosphorylethenyl]pyrrole-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C(F)(F)F)C(=O)NC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations