Geometry & MOs

Info

ID:	289489
PubChem CID:	104357861
Reduced:	BrNCl2H12C14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	348.96175
ΔH_f, kcal/mol:	31.19
Dipole, Da:	4.28
IP(EA), eV:	-9.35(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2-chlorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)Cl)C(CC2=CC=C(C=C2)Cl)N

DOS

IR

Vibrations