Geometry & MOs

Info

ID:	83590
PubChem CID:	49858453
Reduced:	N3O7C24H25 (1)
Stoich.:	A3B7C24D25 (1)
Weight, g/mol:	298.168128
ΔH_f, kcal/mol:	-208.1
Dipole, Da:	5.56
IP(EA), eV:	-9.05(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-acetyl-3-(4-methylpent-4-enyl)-6-phenyl-1,6-dihydropyrimidin-2-one

Drug info:

PubChemData

Smile

COC(=O)CN1C(=O)CC[C@@]23C1=NC(=C([C@@H]2N(C4=CC=CC=C34)CC=C)C(=O)OC)C(=O)OC

DOS

IR

Vibrations