Geometry & MOs

Info

ID:	209595
PubChem CID:	80691832
Reduced:	BrClNSO2C15H15 (1)
Stoich.:	ABCDE2F15G15 (1)
Weight, g/mol:	237.128427
ΔH_f, kcal/mol:	-46.97
Dipole, Da:	4.56
IP(EA), eV:	-9.07(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(3,3-dimethylcyclopentyl)-4-methylaniline

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)NC1=CC(=C(C=C1)Cl)Br)C2=CC=CC=C2

DOS

IR

Vibrations