Geometry & MOs

Info

ID:	270906
PubChem CID:	103638689
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	325.0062
ΔH_f, kcal/mol:	-16.51
Dipole, Da:	5.99
IP(EA), eV:	-8.76(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)[N+](=O)[O-])NCCC2=CC(=CC=C2)OC

DOS

IR

Vibrations