Geometry & MOs

Info

ID:	275883
PubChem CID:	103818668
Reduced:	BrN2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	346.0117
ΔH_f, kcal/mol:	4.58
Dipole, Da:	2.23
IP(EA), eV:	-8.99(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-4-fluorophenyl)methyl]-3-(1,3-oxazol-5-yl)aniline

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NCC2=C(C=CC(=C2)Br)O)C3=CN=CO3

DOS

IR

Vibrations