Geometry & MOs

Info

ID:	443640
PubChem CID:	135259629
Reduced:	N2O5C23H26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	407.173273
ΔH_f, kcal/mol:	-125.13
Dipole, Da:	5.38
IP(EA), eV:	-8.18(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] (E)-hept-5-enoate

Drug info:

PubChemData

Smile

CN(C1=CC(=C(C=C1)OC)OCCN2CCOCC2)C3=CC(=O)OC4=CC=CC=C43

DOS

IR

Vibrations