Geometry & MOs

Info

ID:	152334
PubChem CID:	56311248
Reduced:	FN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	450.237939
ΔH_f, kcal/mol:	-134.14
Dipole, Da:	1.36
IP(EA), eV:	-9.07(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[4-[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NCCOC3=CC=C(C=C3)F

DOS

IR

Vibrations