Geometry & MOs

Info

ID:	215876
PubChem CID:	85085375
Reduced:	ON2C10H16 (1)
Stoich.:	AB2C10D16 (1)
Weight, g/mol:	180.151415
ΔH_f, kcal/mol:	-25.81
Dipole, Da:	3.44
IP(EA), eV:	-9.39(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1,2,3,4,5,8,9,9a-octahydrocyclopenta[8]annulen-3a-ol

Drug info:

PubChemData

Smile

CC(=CC(=O)C(C)(C)C)NCC#N

DOS

IR

Vibrations