Geometry & MOs

Info

ID:	173350
PubChem CID:	75625780
Reduced:	ClN3O3C20H26 (1)
Stoich.:	AB3C3D20E26 (1)
Weight, g/mol:	315.077454
ΔH_f, kcal/mol:	-152.18
Dipole, Da:	5.44
IP(EA), eV:	-9.68(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)Cl)NC(=O)CCN2C3CCCCC3C(=O)NC2=O

DOS

IR

Vibrations