Geometry & MOs

Info

ID:	332660
PubChem CID:	127250946
Reduced:	O3N6C22H26 (1)
Stoich.:	A3B6C22D26 (1)
Weight, g/mol:	398.243024
ΔH_f, kcal/mol:	-1.72
Dipole, Da:	1.75
IP(EA), eV:	-8.24(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(1-ethylpiperidin-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)C(=O)CCN(C)C4=CC(=CC=C4)OC

DOS

IR

Vibrations