Geometry & MOs

Info

ID:	289521
PubChem CID:	104359445
Reduced:	BrClON2C14H16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	342.01345
ΔH_f, kcal/mol:	-0.61
Dipole, Da:	3.86
IP(EA), eV:	-9.02(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(3-bromo-2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=C(OC=N1)C2=C(C(=CC=C2)Br)Cl

DOS

IR

Vibrations