Geometry & MOs

Info

ID:	291719
PubChem CID:	113460497
Reduced:	BrNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	325.03136
ΔH_f, kcal/mol:	-126.82
Dipole, Da:	3.18
IP(EA), eV:	-9.71(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-5-methylbenzoyl)-2-methylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Br)C(=O)NCCCCC(=O)O

DOS

IR

Vibrations