Geometry & MOs

Info

ID:	136590
PubChem CID:	52069270
Reduced:	OCl2N3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	405.205242
ΔH_f, kcal/mol:	21.06
Dipole, Da:	3.81
IP(EA), eV:	-8.36(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)CN3CCN(CC3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations