Geometry & MOs

Info

ID:	437892
PubChem CID:	135227231
Reduced:	N4O5C28H46 (1)
Stoich.:	A4B5C28D46 (1)
Weight, g/mol:	253.179027
ΔH_f, kcal/mol:	-276.91
Dipole, Da:	4.92
IP(EA), eV:	-9.54(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-2-[(2-methoxyethylamino)methyl]but-2-enyl]-2-methyl-4,5-dihydro-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1C[C@]2(C[C@H]1C(=O)N)C(C23CCC3)(C)C)NC(=O)C(C4CCCCC4)NC(=O)OC(C)(C)C

DOS

IR

Vibrations