Geometry & MOs

Info

ID:	371343
PubChem CID:	127345793
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-60.17
Dipole, Da:	3.9
IP(EA), eV:	-8.13(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butylpyrimidin-5-yl)-2-(oxolan-3-yl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C2CCN(CCC2=C1)C(=O)C3=NC(=NC=C3)N4CCCC4)OC

DOS

IR

Vibrations