Geometry & MOs

Info

ID:	379947
PubChem CID:	134964389
Reduced:	IOS2H9C15 (1)
Stoich.:	ABC2D9E15 (1)
Weight, g/mol:	174.104465
ΔH_f, kcal/mol:	53.53
Dipole, Da:	3.22
IP(EA), eV:	-8.48(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2E)-2-benzylidenecyclopentan-1-ol

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=C(S2)SC4=CC=CC=C43)I

DOS

IR

Vibrations