Geometry & MOs

Info

ID:	408986
PubChem CID:	135081759
Reduced:	C5H6 (6)
Stoich.:	A5B6 (6)
Weight, g/mol:	596.061505
ΔH_f, kcal/mol:	86.4
Dipole, Da:	2.01
IP(EA), eV:	-7.26(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC=C([C]2[C]1[CH][C]([C]2CC[C]3[C]([CH][C]4[C]3C(=CC=C4C)C(C)C)C)C)C(C)C

DOS

IR

Vibrations