Geometry & MOs

Info

ID:	120995
PubChem CID:	50752867
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	415.05315
ΔH_f, kcal/mol:	-57.47
Dipole, Da:	3.01
IP(EA), eV:	-8.42(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=NC2=CC=CC=C2N=C1N3CCCC(C3)C(=O)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations