Geometry & MOs

Info

ID:	332666
PubChem CID:	127250952
Reduced:	O3N6C18H26 (1)
Stoich.:	A3B6C18D26 (1)
Weight, g/mol:	372.190989
ΔH_f, kcal/mol:	-30.98
Dipole, Da:	5.43
IP(EA), eV:	-9.19(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CN(CCO3)CC(=O)N(CC)CC

DOS

IR

Vibrations