Geometry & MOs

Info

ID:	25644
PubChem CID:	627733
Reduced:	ClNO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	305.120449
ΔH_f, kcal/mol:	-109.38
Dipole, Da:	2.29
IP(EA), eV:	-9.5(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-anthracen-9-ylethenyl)benzonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(N1)C)C(=O)C2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations