Geometry & MOs

Info

ID:	146303
PubChem CID:	53666845
Reduced:	SO2N3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	198.16198
ΔH_f, kcal/mol:	-20.17
Dipole, Da:	5.05
IP(EA), eV:	-9.38(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxybut-1-enyl)-1,3,3-trimethylcyclopentan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=CC2=NC(N=C2C=C1)(N)S

DOS

IR

Vibrations