Geometry & MOs

Info

ID:	319750
PubChem CID:	126657174
Reduced:	O2N3C26H27 (1)
Stoich.:	A2B3C26D27 (1)
Weight, g/mol:	288.95998
ΔH_f, kcal/mol:	-1.03
Dipole, Da:	3.64
IP(EA), eV:	-8.29(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(iodoamino)-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)C=C)C2=CC3=C(C=C2)[C@@H](CCC3)CNC4=C(C=CN=C4)C(=O)O

DOS

IR

Vibrations