Geometry & MOs

Info

ID:	254067
PubChem CID:	103122497
Reduced:	BrON3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	321.04767
ΔH_f, kcal/mol:	-8.48
Dipole, Da:	6.0
IP(EA), eV:	-9.37(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(bromomethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N2C3CCC2CC(C3)Br

DOS

IR

Vibrations