Geometry & MOs

Info

ID:	192011
PubChem CID:	78213456
Reduced:	BrO4H17C19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	487.07428
ΔH_f, kcal/mol:	-116.9
Dipole, Da:	3.04
IP(EA), eV:	-9.15(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-bromo-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)methylideneamino]-2-[4-methyl-2-(1,2-oxazol-5-yl)phenoxy]acetamide

Drug info:

PubChemData

Smile

C1CC2C(CC1Br)C(=O)C(=CO2)C=C3COC4=CC=CC=C4C3=O

DOS

IR

Vibrations