Geometry & MOs

Info

ID:	283358
PubChem CID:	103977645
Reduced:	BrClN2O2C11H12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	227.152144
ΔH_f, kcal/mol:	-59.92
Dipole, Da:	8.34
IP(EA), eV:	-9.81(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[butyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)C(=O)CNC(=O)C1=C(C(=CC=C1)Br)Cl

DOS

IR

Vibrations