Geometry & MOs

Info

ID:	267953
PubChem CID:	103590701
Reduced:	FON3C14H22 (1)
Stoich.:	ABC3D14E22 (1)
Weight, g/mol:	265.15904
ΔH_f, kcal/mol:	-100.05
Dipole, Da:	5.31
IP(EA), eV:	-8.11(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-4-fluoro-5-methylanilino)-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)NCCC(=O)NCC(C)C

DOS

IR

Vibrations