Geometry & MOs

Info

ID:	393018
PubChem CID:	135018968
Reduced:	O2C23H24 (1)
Stoich.:	A2B23C24 (1)
Weight, g/mol:	310.250795
ΔH_f, kcal/mol:	-38.34
Dipole, Da:	4.18
IP(EA), eV:	-9.23(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-(5,5-dimethoxypentyl)-1-hept-1-ynylcyclopentan-1-ol

Drug info:

PubChemData

Smile

CC1(CC(=O)C(C(=O)C1)C(/C=C/C2=CC=CC=C2)C3=CC=CC=C3)C

DOS

IR

Vibrations