Geometry & MOs

Info

ID:	352369
PubChem CID:	127283456
Reduced:	ClN3O3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	332.184841
ΔH_f, kcal/mol:	-65.25
Dipole, Da:	3.54
IP(EA), eV:	-8.9(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)N3CCN(CC3)CC4=NC(=C(O4)C)C

DOS

IR

Vibrations