Geometry & MOs

Info

ID:	254073
PubChem CID:	103122520
Reduced:	BrON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	349.07897
ΔH_f, kcal/mol:	4.78
Dipole, Da:	4.51
IP(EA), eV:	-9.14(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=C3C=CC=CN3N=C2)CCBr

DOS

IR

Vibrations