Geometry & MOs

Info

ID:	225500
PubChem CID:	85852555
Reduced:	NOPC24H50 (1)
Stoich.:	ABCD24E50 (1)
Weight, g/mol:	218.034586
ΔH_f, kcal/mol:	-172.82
Dipole, Da:	1.27
IP(EA), eV:	-8.57(1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;(3-chlorophenoxy)methanol

Drug info:

PubChemData

Smile

CCCCCCCCCCOP(C1CCCCC1)NCCCCCCCC

DOS

IR

Vibrations