Geometry & MOs

Info

ID:	150349
PubChem CID:	53790037
Reduced:	ClOSN2C14H15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	267.074287
ΔH_f, kcal/mol:	5.8
Dipole, Da:	2.16
IP(EA), eV:	-9.04(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methoxy-4-(2-nitroprop-1-enyl)phenoxy]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)NNCCC2=CC=CS2)Cl

DOS

IR

Vibrations