Geometry & MOs

Info

ID:	36999
PubChem CID:	8016033
Reduced:	NO6C21H23 (1)
Stoich.:	AB6C21D23 (1)
Weight, g/mol:	383.136887
ΔH_f, kcal/mol:	-226.12
Dipole, Da:	9.44
IP(EA), eV:	-9.39(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=C)C)CC(=O)N3CCC[C@@H]3C(=O)O

DOS

IR

Vibrations