Geometry & MOs

Info

ID:	291725
PubChem CID:	113460578
Reduced:	BrN2C15H25 (1)
Stoich.:	AB2C15D25 (1)
Weight, g/mol:	323.05209
ΔH_f, kcal/mol:	-2.2
Dipole, Da:	4.16
IP(EA), eV:	-8.66(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-bromo-5-methylbenzoyl)pyrrolidin-2-yl]propan-2-one

Drug info:

PubChemData

Smile

CCN(CC)CCCNCC1=CC(=CC(=C1)C)Br

DOS

IR

Vibrations