Geometry & MOs

Info

ID:	344177
PubChem CID:	127267353
Reduced:	SO2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-48.76
Dipole, Da:	2.67
IP(EA), eV:	-9.26(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxy-1-pyrimidin-4-ylpyrrolidin-2-yl)-(4-methylazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CCCCOC1=C(C=CC=N1)CNC(=O)C(C)(C)C2=NC=CS2

DOS

IR

Vibrations