Geometry & MOs

Info

ID:	445242
PubChem CID:	135265381
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	343.141973
ΔH_f, kcal/mol:	-33.4
Dipole, Da:	4.38
IP(EA), eV:	-8.37(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl-(3,4,5-trimethoxycyclohexa-1,3-dien-1-yl)amino]chromen-2-one

Drug info:

PubChemData

Smile

CN(C1CC(=O)CCC2=CC=CC=C12)C3=CC=C(C=C3)OC

DOS

IR

Vibrations