Geometry & MOs

Info

ID:	289507
PubChem CID:	104358931
Reduced:	BrNOCl2H14C16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	342.01345
ΔH_f, kcal/mol:	-9.7
Dipole, Da:	1.89
IP(EA), eV:	-9.5(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-(3-bromo-2-chlorophenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(CCl)NC(=O)C2=C(C(=CC=C2)Br)Cl

DOS

IR

Vibrations