Geometry & MOs

Info

ID:	448303
PubChem CID:	135290011
Reduced:	NO6C20H21 (1)
Stoich.:	AB6C20D21 (1)
Weight, g/mol:	371.136887
ΔH_f, kcal/mol:	-180.99
Dipole, Da:	2.05
IP(EA), eV:	-8.57(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enoylamino]benzoic acid

Drug info:

PubChemData

Smile

COCCOC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)OC

DOS

IR

Vibrations