Geometry & MOs

Info

ID:	136592
PubChem CID:	52070261
Reduced:	N3O4C26H31 (1)
Stoich.:	A3B4C26D31 (1)
Weight, g/mol:	405.205242
ΔH_f, kcal/mol:	-98.9
Dipole, Da:	3.21
IP(EA), eV:	-8.67(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CN3CCN(CC3)C(=O)CCC4=CC(=CC=C4)OC

DOS

IR

Vibrations