Geometry & MOs

Info

ID:	48391
PubChem CID:	10544018
Reduced:	NF3O3H14C16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	326.00145
ΔH_f, kcal/mol:	-248.9
Dipole, Da:	5.89
IP(EA), eV:	-9.01(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(3Z)-3-(2,5-dioxoimidazolidin-4-ylidene)propyl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1NC2=C(C=C(C=C2)C(F)(F)F)CO

DOS

IR

Vibrations