Geometry & MOs

Info

ID:	225437
PubChem CID:	85786859
Reduced:	NO2Cl3C5H8 (1)
Stoich.:	AB2C3D5E8 (1)
Weight, g/mol:	245.133026
ΔH_f, kcal/mol:	-124.37
Dipole, Da:	4.53
IP(EA), eV:	-10.76(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-phenylhepta-1,3,5-trienylbenzene

Drug info:

PubChemData

Smile

CCC(=O)NC(C(Cl)(Cl)Cl)O

DOS

IR

Vibrations