Geometry & MOs

Info

ID:	144598
PubChem CID:	53387944
Reduced:	OC10H18 (1)
Stoich.:	AB10C18 (1)
Weight, g/mol:	168.151415
ΔH_f, kcal/mol:	-65.05
Dipole, Da:	1.24
IP(EA), eV:	-9.73(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-5-methylidene-2-propan-2-ylcycloheptan-1-ol

Drug info:

PubChemData

Smile

CC[C@H]1CCC(=C)CC[C@@H]1O

DOS

IR

Vibrations