Geometry & MOs

Info

ID:	332690
PubChem CID:	127250976
Reduced:	O3N5C23H29 (1)
Stoich.:	A3B5C23D29 (1)
Weight, g/mol:	442.269239
ΔH_f, kcal/mol:	-13.12
Dipole, Da:	6.18
IP(EA), eV:	-8.38(-1.19)
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-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CN(CCO3)CC4=C(C(=C(C=C4C)OC)C)C

DOS

IR

Vibrations