Geometry & MOs

Info

ID:	383743
PubChem CID:	134975639
Reduced:	OC6H11 (2)
Stoich.:	AB6C11 (2)
Weight, g/mol:	202.112443
ΔH_f, kcal/mol:	-110.62
Dipole, Da:	0.35
IP(EA), eV:	-9.97(1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-1-chlorobut-1-enyl]cycloheptan-1-ol

Drug info:

PubChemData

Smile

CC(C)(CC#CC(C)(C)C(C)(C)O)O

DOS

IR

Vibrations