Geometry & MOs

Info

ID:	448288
PubChem CID:	135289933
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	414.179087
ΔH_f, kcal/mol:	-25.51
Dipole, Da:	9.05
IP(EA), eV:	-8.67(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-[2-(dimethylamino)ethoxy]-3,4-dimethoxyphenyl]prop-2-enoylamino]benzoic acid

Drug info:

PubChemData

Smile

CN1CCC(C1)OC2=C(C=C(C=C2)/C=C/C(=O)NC3=CC=C(C=C3)C#N)OC

DOS

IR

Vibrations