Geometry & MOs

Info

ID:	201154
PubChem CID:	79496404
Reduced:	BrON2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	256.017018
ΔH_f, kcal/mol:	49.86
Dipole, Da:	1.43
IP(EA), eV:	-9.55(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)-N-(1,2-oxazol-3-ylmethyl)methanamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNCC2=NOC=C2)Br

DOS

IR

Vibrations