Geometry & MOs

Info

ID:	262517
PubChem CID:	103297946
Reduced:	FN2O3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	280.158706
ΔH_f, kcal/mol:	-183.15
Dipole, Da:	7.8
IP(EA), eV:	-9.01(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyrrolidin-1-ylpropyl 5-amino-2-fluoro-3-methylbenzoate

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)COC(=O)C1=C(C(=CC(=C1)N)C)F

DOS

IR

Vibrations