Geometry & MOs

Info

ID:	303191
PubChem CID:	124489336
Reduced:	OF2N2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	232.157563
ΔH_f, kcal/mol:	-115.53
Dipole, Da:	4.35
IP(EA), eV:	-9.31(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-(3-methylphenyl)methanone

Drug info:

PubChemData

Smile

CNC[C@H]1CCN(C1)C(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations