Geometry & MOs

Info

ID:	385178
PubChem CID:	134978457
Reduced:	ON2C18H18 (1)
Stoich.:	AB2C18D18 (1)
Weight, g/mol:	222.198365
ΔH_f, kcal/mol:	34.72
Dipole, Da:	9.58
IP(EA), eV:	-8.96(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)propan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=C(C2=O)C#N)N3CCCCC3

DOS

IR

Vibrations