Geometry & MOs

Info

ID:	448302
PubChem CID:	135290004
Reduced:	O3N5H17C20 (1)
Stoich.:	A3B5C17D20 (1)
Weight, g/mol:	371.136887
ΔH_f, kcal/mol:	76.3
Dipole, Da:	4.77
IP(EA), eV:	-8.64(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]prop-2-enoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=CC=C2C3=NNN=N3)OCC#C

DOS

IR

Vibrations