Geometry & MOs

Info

ID:	150113
PubChem CID:	53789799
Reduced:	OS2N3C18H39 (1)
Stoich.:	AB2C3D18E39 (1)
Weight, g/mol:	530.217872
ΔH_f, kcal/mol:	-99.93
Dipole, Da:	8.97
IP(EA), eV:	-8.4(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-[4-[(1-benzylindazol-5-yl)amino]quinazolin-6-yl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-one

Drug info:

PubChemData

Smile

CCCNC(CCCCC(C)(C)S)(CN(CCC)CNC(=S)C)O

DOS

IR

Vibrations