Geometry & MOs

Info

ID:	285505
PubChem CID:	104109938
Reduced:	BrClNOC13H19 (1)
Stoich.:	ABCDE13F19 (1)
Weight, g/mol:	241.090328
ΔH_f, kcal/mol:	-51.0
Dipole, Da:	5.09
IP(EA), eV:	-8.76(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(3-methylsulfonylpropyl)pentan-2-amine

Drug info:

PubChemData

Smile

CC(CC(C)Cl)NCC1=C(C=CC(=C1)Br)OC

DOS

IR

Vibrations