Geometry & MOs

Info

ID:	37021
PubChem CID:	8016210
Reduced:	O3H5C7 (2)
Stoich.:	A3B5C7 (2)
Weight, g/mol:	356.137222
ΔH_f, kcal/mol:	-174.63
Dipole, Da:	5.2
IP(EA), eV:	-9.76(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(pyridin-3-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)[C@H](OC2=O)C3=C(C(=O)C=C(O3)CO)O

DOS

IR

Vibrations