Geometry & MOs

Info

ID:	279789
PubChem CID:	103845193
Reduced:	OCl2N3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	318.032668
ΔH_f, kcal/mol:	45.53
Dipole, Da:	5.66
IP(EA), eV:	-8.83(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NCC2=C(C=CC(=C2)Cl)Cl)C3=NN=CO3

DOS

IR

Vibrations