Geometry & MOs

Info

ID:	401465
PubChem CID:	135051351
Reduced:	NCl2O2C24H25 (1)
Stoich.:	AB2C2D24E25 (1)
Weight, g/mol:	284.120115
ΔH_f, kcal/mol:	-34.08
Dipole, Da:	1.95
IP(EA), eV:	-8.7(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-benzylidene-1-phenyl-1H-2-benzofuran

Drug info:

PubChemData

Smile

CCN(CC)C1C=CC[C@H]([C@@H]1C(=O)C2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations