Geometry & MOs

Info

ID:	435953
PubChem CID:	135192972
Reduced:	ClFO2N6C20H20 (1)
Stoich.:	ABC2D6E20F20 (1)
Weight, g/mol:	213.072055
ΔH_f, kcal/mol:	26.5
Dipole, Da:	6.73
IP(EA), eV:	-9.17(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(2-chloro-4-fluorophenyl)-4-methylpyrrolidine

Drug info:

PubChemData

Smile

CC1CN(CC1C2=C(C=C(C=C2)F)Cl)C3=NN=C(N3C4=CN=C(C=C4)OC)CN=O

DOS

IR

Vibrations