Geometry & MOs

Info

ID:	49082
PubChem CID:	11528691
Reduced:	NOC15H15 (1)
Stoich.:	ABC15D15 (1)
Weight, g/mol:	225.061221
ΔH_f, kcal/mol:	16.78
Dipole, Da:	2.26
IP(EA), eV:	-9.19(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-4-phenylbenzonitrile

Drug info:

PubChemData

Smile

CCOC(=N)C1=CC=C(C=C1)C2=CC=CC=C2

DOS

IR

Vibrations