Geometry & MOs

Info

ID:	291717
PubChem CID:	113460482
Reduced:	BrNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	325.03136
ΔH_f, kcal/mol:	-133.83
Dipole, Da:	6.86
IP(EA), eV:	-10.03(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-bromo-5-methylbenzoyl)pyrrolidin-2-yl]acetic acid

Drug info:

PubChemData

Smile

CCCC(C)(C(=O)O)NC(=O)C1=CC(=CC(=C1)C)Br

DOS

IR

Vibrations