Geometry & MOs

Info

ID:	73435
PubChem CID:	48417692
Reduced:	ClON3C22H22 (1)
Stoich.:	ABC3D22E22 (1)
Weight, g/mol:	355.108754
ΔH_f, kcal/mol:	14.63
Dipole, Da:	3.72
IP(EA), eV:	-8.13(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(1-phenylethylamino)phenyl]-3-methyl-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC2=C(C=C(C=C2)NC(=O)CCC3=CN=CC=C3)Cl

DOS

IR

Vibrations