Geometry & MOs

Info

ID:	332668
PubChem CID:	127250954
Reduced:	O3N6C23H26 (1)
Stoich.:	A3B6C23D26 (1)
Weight, g/mol:	414.237939
ΔH_f, kcal/mol:	4.19
Dipole, Da:	5.18
IP(EA), eV:	-8.78(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[2-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholin-4-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CN(CCO3)CC(=O)N4CCCC5=CC=CC=C54

DOS

IR

Vibrations