Geometry & MOs

Info

ID:	287356
PubChem CID:	104238885
Reduced:	ClO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	280.097855
ΔH_f, kcal/mol:	-194.77
Dipole, Da:	4.84
IP(EA), eV:	-8.9(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-chloro-4-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol

Drug info:

PubChemData

Smile

CCOC(=O)CCCCCOC1=C(C=C(C=C1)[C@@H](C)O)Cl

DOS

IR

Vibrations