Geometry & MOs

Info

ID:	332654
PubChem CID:	127250940
Reduced:	FON6C21H21 (1)
Stoich.:	ABC6D21E21 (1)
Weight, g/mol:	446.243024
ΔH_f, kcal/mol:	43.53
Dipole, Da:	4.41
IP(EA), eV:	-8.54(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-3-[4-[1-[(5-methoxy-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-3-yl]pyrimidin-5-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C=CC(=C2)F)CN3CCC(C3)C4=NC=NC=C4C5=NOC(=N5)C

DOS

IR

Vibrations