Geometry & MOs

Info

ID:	181470
PubChem CID:	76747743
Reduced:	BrO2N4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-18.25
Dipole, Da:	3.04
IP(EA), eV:	-8.69(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-3-methylbutan-1-one

Drug info:

PubChemData

Smile

C1C(N=C(O1)N)CCC2=CC=C(C=C2)NC(=O)C3=NC(=CC=C3)Br

DOS

IR

Vibrations