Geometry & MOs

Info

ID:	303156
PubChem CID:	124489280
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	314.043
ΔH_f, kcal/mol:	-38.39
Dipole, Da:	6.02
IP(EA), eV:	-9.0(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-5-fluorophenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)N2CC[C@H](C2)CNC

DOS

IR

Vibrations