Geometry & MOs

Info

ID:	122409
PubChem CID:	50805434
Reduced:	BrO2N5H18C19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	455.08445
ΔH_f, kcal/mol:	44.87
Dipole, Da:	4.68
IP(EA), eV:	-9.02(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=C(C=C2)Br)C(=O)N3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations