Geometry & MOs

Info

ID:	288952
PubChem CID:	104328905
Reduced:	FON2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	250.148141
ΔH_f, kcal/mol:	-106.57
Dipole, Da:	4.25
IP(EA), eV:	-9.6(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1-aminoethyl)pyrrolidin-1-yl]-(4-fluoro-2-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)NC(C)(CC(C)C)CN

DOS

IR

Vibrations