Geometry & MOs

Info

ID:	147301
PubChem CID:	53786956
Reduced:	FN5O7C42H54 (1)
Stoich.:	AB5C7D42E54 (1)
Weight, g/mol:	339.147058
ΔH_f, kcal/mol:	-274.32
Dipole, Da:	7.23
IP(EA), eV:	-8.93(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[bis(2-hydroxyethyl)amino]methylidene]-2-phenylchromen-4-one

Drug info:

PubChemData

Smile

CCOC(=O)CN1CCN(CC1)C(=O)NC2(CCN(CC2)CCC3(CCN(C3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)C5=CC=C(C=C5)F)C6=CC=CC=C6

DOS

IR

Vibrations