Geometry & MOs

Info

ID:	303174
PubChem CID:	124489318
Reduced:	FON2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	254.123069
ΔH_f, kcal/mol:	-55.59
Dipole, Da:	4.2
IP(EA), eV:	-9.29(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-difluorophenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations