Geometry & MOs

Info

ID:	289519
PubChem CID:	104359442
Reduced:	BrClON2C12H12 (1)
Stoich.:	ABCD2E12F12 (1)
Weight, g/mol:	325.98215
ΔH_f, kcal/mol:	10.6
Dipole, Da:	1.61
IP(EA), eV:	-9.18(-1.03)
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]cyclopropanamine

Drug info:

PubChemData

Smile

CCNCC1=C(OC=N1)C2=C(C(=CC=C2)Br)Cl

DOS

IR

Vibrations