Geometry & MOs

Info

ID:	172497
PubChem CID:	75516467
Reduced:	F3N3O3H12C14 (1)
Stoich.:	A3B3C3D12E14 (1)
Weight, g/mol:	266.163043
ΔH_f, kcal/mol:	-226.29
Dipole, Da:	6.24
IP(EA), eV:	-9.57(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C=CC(=N2)C(=O)O)NC(=O)CCC(F)(F)F

DOS

IR

Vibrations