Geometry & MOs

Info

ID:	196069
PubChem CID:	78775947
Reduced:	ClN3O5H12C15 (1)
Stoich.:	AB3C5D12E15 (1)
Weight, g/mol:	438.182254
ΔH_f, kcal/mol:	-14.93
Dipole, Da:	4.96
IP(EA), eV:	-9.82(-2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Cl)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations