Geometry & MOs

Info

ID:	381107
PubChem CID:	134971751
Reduced:	ON2C19H20 (1)
Stoich.:	AB2C19D20 (1)
Weight, g/mol:	140.120115
ΔH_f, kcal/mol:	54.85
Dipole, Da:	1.67
IP(EA), eV:	-9.54(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R)-2,2,4-trimethyl-5-methylidenecyclopentan-1-ol

Drug info:

PubChemData

Smile

CC[C@]1([C@H]([C@@](N=N1)(C=C)C2=CC=CC=C2)O)C3=CC=CC=C3

DOS

IR

Vibrations