Geometry & MOs

Info

ID:	157066
PubChem CID:	56413296
Reduced:	OF3N3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	461.20386
ΔH_f, kcal/mol:	-120.75
Dipole, Da:	5.3
IP(EA), eV:	-9.37(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)CN3CCCCC3C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations