Geometry & MOs

Info

ID:	120991
PubChem CID:	50752782
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	443.04807
ΔH_f, kcal/mol:	-9.7
Dipole, Da:	2.66
IP(EA), eV:	-8.51(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-(oxolan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=NC2=CC=CC=C2N=C1N3CCCC(C3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations