Geometry & MOs

Info

ID:	163693
PubChem CID:	58106706
Reduced:	VH13C14 (1)
Stoich.:	AB13C14 (1)
Weight, g/mol:	182.10955
ΔH_f, kcal/mol:	127.58
Dipole, Da:	3.84
IP(EA), eV:	-6.39(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3a,4,5,10-tetrahydrobenzo[f]azulene

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2CC3=CC=[C-]C31.[V]

DOS

IR

Vibrations