Geometry & MOs

Info

ID:	60139
PubChem CID:	26675758
Reduced:	ClSN2O4C17H17 (1)
Stoich.:	ABC2D4E17F17 (1)
Weight, g/mol:	270.055991
ΔH_f, kcal/mol:	-54.55
Dipole, Da:	4.18
IP(EA), eV:	-9.46(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(Z)-(4-chlorophenyl)methylideneamino]oxymethyl]benzonitrile

Drug info:

PubChemData

Smile

CCCN(CC1=NOC(=C1)C2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations