Geometry & MOs

Info

ID:	209463
PubChem CID:	80676346
Reduced:	BrClNC13H17 (1)
Stoich.:	ABCD13E17 (1)
Weight, g/mol:	327.08339
ΔH_f, kcal/mol:	0.89
Dipole, Da:	2.95
IP(EA), eV:	-9.01(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-bromopropyl)pyrrolidin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCC1CBr)CC2=CC(=CC=C2)Cl

DOS

IR

Vibrations