Geometry & MOs

Info

ID:	225817
PubChem CID:	87226434
Reduced:	OC13H22 (2)
Stoich.:	AB13C22 (2)
Weight, g/mol:	388.101878
ΔH_f, kcal/mol:	-156.64
Dipole, Da:	4.37
IP(EA), eV:	-9.68(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)pentacene

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC(=O)[C@]3(C)CCC=O)C

DOS

IR

Vibrations