Geometry & MOs

Info

ID:	332653
PubChem CID:	127250939
Reduced:	O2N5C22H25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	392.176087
ΔH_f, kcal/mol:	29.07
Dipole, Da:	3.61
IP(EA), eV:	-8.46(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[1-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]pyrrolidin-3-yl]pyrimidin-5-yl]-5-methyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)CC4=CC5=C(C=C4)OC(C5)(C)C

DOS

IR

Vibrations