Geometry & MOs

Info

ID:	209474
PubChem CID:	80677959
Reduced:	BrN2O2C9H11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	347.92959
ΔH_f, kcal/mol:	-24.03
Dipole, Da:	3.95
IP(EA), eV:	-9.81(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(bromomethyl)pyrrolidin-1-yl]-(5-bromopyridin-2-yl)methanone

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=NOC=C2)CBr

DOS

IR

Vibrations