Geometry & MOs

Info

ID:	4556
PubChem CID:	11605
Reduced:	C3H4 (2)
Stoich.:	A3B4 (2)
Weight, g/mol:	80.0626
ΔH_f, kcal/mol:	19.71
Dipole, Da:	0.84
IP(EA), eV:	-8.76(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexa-1,3-diene

Drug info:

PubChemData

Smile

C1CC=CC=C1

DOS

IR

Vibrations