Geometry & MOs

Info

ID:	372978
PubChem CID:	131307957
Reduced:	NSO4H7C9 (1)
Stoich.:	ABC4D7E9 (1)
Weight, g/mol:	211.040006
ΔH_f, kcal/mol:	-55.44
Dipole, Da:	6.85
IP(EA), eV:	-9.32(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-chloro-2-(methoxymethyl)phenyl]-2-hydroxyacetonitrile

Drug info:

PubChemData

Smile

C1=CSC2=C(C(=C(C=C21)[N+](=O)[O-])O)CO

DOS

IR

Vibrations