Geometry & MOs

Info

ID:	445244
PubChem CID:	135265399
Reduced:	NO2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	429.157623
ΔH_f, kcal/mol:	-99.41
Dipole, Da:	5.27
IP(EA), eV:	-8.22(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] 4-ethylbenzoate

Drug info:

PubChemData

Smile

CN(C1=CC(=C(C=C1)OC)NC(=O)C2CCCC2)/C(=C/C=O)/C3=CC=CC=C3OC

DOS

IR

Vibrations