Geometry & MOs

Info

ID:	232154
PubChem CID:	87575610
Reduced:	C12O13H22 (1)
Stoich.:	A12B13C22 (1)
Weight, g/mol:	251.079238
ΔH_f, kcal/mol:	-456.17
Dipole, Da:	3.02
IP(EA), eV:	-10.3(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-chlorophenyl)-4-(trideuteriomethoxy)phenyl]methanol

Drug info:

PubChemData

Smile

C([C@@H]([C@@H](CO)O)O)[C@H](C(=O)OOOC(=O)[C@@H](C[C@@H]([C@@H](CO)O)O)O)O

DOS

IR

Vibrations