Geometry & MOs

Info

ID:	251023
PubChem CID:	103100896
Reduced:	F3N3O3C12H14 (1)
Stoich.:	A3B3C3D12E14 (1)
Weight, g/mol:	210.111676
ΔH_f, kcal/mol:	-270.89
Dipole, Da:	3.59
IP(EA), eV:	-9.13(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)C1=CC(=C(C=C1)OC(F)(F)F)N

DOS

IR

Vibrations