Geometry & MOs

Info

ID:	262486
PubChem CID:	103296363
Reduced:	FON2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	280.158706
ΔH_f, kcal/mol:	-62.26
Dipole, Da:	6.65
IP(EA), eV:	-8.64(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-amino-2-fluoro-3-methylphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)C)C(=O)C2=C(C(=CC(=C2)N)C)F

DOS

IR

Vibrations