Geometry & MOs

Info

ID:	205220
PubChem CID:	80070532
Reduced:	N2O3C14H24 (1)
Stoich.:	A2B3C14D24 (1)
Weight, g/mol:	210.125594
ΔH_f, kcal/mol:	-122.87
Dipole, Da:	2.51
IP(EA), eV:	-8.78(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(1R)-1-hydroxyethyl]phenoxy]butan-2-ol

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)OC(C)C(C)O)CNCCOC

DOS

IR

Vibrations