Geometry & MOs

Info

ID:	293736
PubChem CID:	117398222
Reduced:	ClNO2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	257.100499
ΔH_f, kcal/mol:	-82.32
Dipole, Da:	2.95
IP(EA), eV:	-8.62(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-4-propan-2-ylsulfanylphenyl)butan-1-amine

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC(=C1CCN)Cl)OC)OC

DOS

IR

Vibrations