Geometry & MOs

Info

ID:	282036
PubChem CID:	103914691
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	282.093519
ΔH_f, kcal/mol:	32.15
Dipole, Da:	5.25
IP(EA), eV:	-9.09(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-3-fluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1[N+](=O)[O-])NC2CC3=CC=CC=C3C2

DOS

IR

Vibrations