Geometry & MOs

Info

ID:	396381
PubChem CID:	135028233
Reduced:	OS2H16C23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	407.1674
ΔH_f, kcal/mol:	81.33
Dipole, Da:	1.75
IP(EA), eV:	-7.87(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C3C=CC=CC3=C(O2)C4=CC=C(S4)C5=CC=CS5

DOS

IR

Vibrations