Geometry & MOs

Info

ID:	408689
PubChem CID:	135081457
Reduced:	C4H5 (8)
Stoich.:	A4B5 (8)
Weight, g/mol:	542.108455
ΔH_f, kcal/mol:	58.68
Dipole, Da:	0.68
IP(EA), eV:	-8.6(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C[C]2[C]1[C]([C]3[C]2C=CC=C3C(C)(C)C)CC[C]4[CH][CH][C]([CH]4)C(C)(C)C

DOS

IR

Vibrations