Geometry & MOs

Info

ID:	213630
PubChem CID:	81064428
Reduced:	NF3O3C12H12 (1)
Stoich.:	AB3C3D12E12 (1)
Weight, g/mol:	297.132471
ΔH_f, kcal/mol:	-261.11
Dipole, Da:	3.78
IP(EA), eV:	-10.21(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(4-nitro-1-propan-2-ylpyrrole-2-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=C(C=C(C=C1F)F)F

DOS

IR

Vibrations