Geometry & MOs

Info

ID:	198039
PubChem CID:	79035075
Reduced:	SN2O4C14H14 (1)
Stoich.:	AB2C4D14E14 (1)
Weight, g/mol:	225.019271
ΔH_f, kcal/mol:	-103.44
Dipole, Da:	5.91
IP(EA), eV:	-9.59(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-but-2-ynoxy-4-chloro-1-nitrobenzene

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)C(=O)O)C(=O)C2=CSC(=N2)C3=CC=CO3

DOS

IR

Vibrations