Geometry & MOs

Info

ID:	279626
PubChem CID:	103844495
Reduced:	SO4C13H20 (1)
Stoich.:	AB4C13D20 (1)
Weight, g/mol:	307.061136
ΔH_f, kcal/mol:	-167.03
Dipole, Da:	7.47
IP(EA), eV:	-8.64(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanol

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCCOC1=CC=C(C=C1)CCO

DOS

IR

Vibrations