Geometry & MOs

Info

ID:	42924
PubChem CID:	10317155
Reduced:	PN2F3O5C13H20 (1)
Stoich.:	AB2C3D5E13F20 (1)
Weight, g/mol:	372.147393
ΔH_f, kcal/mol:	-419.53
Dipole, Da:	5.19
IP(EA), eV:	-10.81(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-benzyl-5-oxo-4-phenylpyrrolo[3,2-b]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NNC(=C1C(F)(F)F)P(=O)(OC(C)C)OC(C)C

DOS

IR

Vibrations