Geometry & MOs

Info

ID:	213337
PubChem CID:	81063483
Reduced:	NF2O4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	286.10842
ΔH_f, kcal/mol:	-265.84
Dipole, Da:	3.49
IP(EA), eV:	-9.82(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC(=CC=C1)OC(F)F

DOS

IR

Vibrations