Geometry & MOs

Info

ID:	433544
PubChem CID:	135173684
Reduced:	O2N3C14H29 (1)
Stoich.:	A2B3C14D29 (1)
Weight, g/mol:	213.001513
ΔH_f, kcal/mol:	-111.22
Dipole, Da:	5.78
IP(EA), eV:	-8.37(1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(methylsulfanyloxymethyl)benzonitrile

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CN1CCN(CC1)C(C)COC

DOS

IR

Vibrations