Geometry & MOs

Info

ID:	412726
PubChem CID:	135085640
Reduced:	O2C3H6 (2)
Stoich.:	A2B3C6 (2)
Weight, g/mol:	234.980299
ΔH_f, kcal/mol:	-197.89
Dipole, Da:	2.79
IP(EA), eV:	-10.35(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dichloro-1-(3-nitrophenyl)ethanol

Drug info:

PubChemData

Smile

CC[C@@H]1C(C([C@@H](O1)O)O)O

DOS

IR

Vibrations