Geometry & MOs

Info

ID:	47889
PubChem CID:	10535746
Reduced:	SN2O3C6H12 (1)
Stoich.:	AB2C3D6E12 (1)
Weight, g/mol:	192.11503
ΔH_f, kcal/mol:	-124.98
Dipole, Da:	1.78
IP(EA), eV:	-9.28(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-propan-2-yloxyphenyl)prop-2-en-1-ol

Drug info:

PubChemData

Smile

CSC1=N[C@@H]([C@H]([C@H](N1)CO)O)O

DOS

IR

Vibrations