Geometry & MOs

Info

ID:	332645
PubChem CID:	127250931
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	385.21139
ΔH_f, kcal/mol:	-58.66
Dipole, Da:	3.22
IP(EA), eV:	-9.62(-1.47)
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-hydroxycyclohexyl)ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)C(=O)CC4(CCCCC4)O

DOS

IR

Vibrations