Geometry & MOs

Info

ID:	332652
PubChem CID:	127250938
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	34.48
Dipole, Da:	5.64
IP(EA), eV:	-8.56(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN2CCC(C2)C3=NC=NC=C3C4=NOC(=N4)C)OC

DOS

IR

Vibrations