Geometry & MOs

Info

ID:	152070
PubChem CID:	56310922
Reduced:	FO2N3C23H24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	466.232853
ΔH_f, kcal/mol:	-60.7
Dipole, Da:	4.73
IP(EA), eV:	-8.35(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[4-(4-cyano-2-methyl-1,3-oxazol-5-yl)piperazin-1-yl]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=C3C(=CC(=C2)F)C=CC=N3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations