Geometry & MOs

Info

ID:	209461
PubChem CID:	80676286
Reduced:	BrN3C15H22 (1)
Stoich.:	AB3C15D22 (1)
Weight, g/mol:	313.04775
ΔH_f, kcal/mol:	13.38
Dipole, Da:	2.73
IP(EA), eV:	-9.17(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-bromopropyl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CCBr)C2=NC=NC3=C2CCC3

DOS

IR

Vibrations