Geometry & MOs

Info

ID:	255799
PubChem CID:	103134791
Reduced:	OSN2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	257.064113
ΔH_f, kcal/mol:	-28.56
Dipole, Da:	2.25
IP(EA), eV:	-8.19(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-[(5-methyloxolan-2-yl)methylsulfanyl]aniline

Drug info:

PubChemData

Smile

CC1CCC(O1)CSC2=NC=C(C=C2)N

DOS

IR

Vibrations