Geometry & MOs

Info

ID:	393853
PubChem CID:	135021828
Reduced:	ON3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	398.116293
ΔH_f, kcal/mol:	48.09
Dipole, Da:	6.19
IP(EA), eV:	-9.26(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,2-bis[(4-methylphenyl)sulfanyl]ethenyl]naphthalene

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(CN2C3=CC=CC=C3N=N2)O

DOS

IR

Vibrations