Geometry & MOs

Info

ID:	34224
PubChem CID:	7890376
Reduced:	NO4C25H29 (1)
Stoich.:	AB4C25D29 (1)
Weight, g/mol:	346.152872
ΔH_f, kcal/mol:	-120.37
Dipole, Da:	4.44
IP(EA), eV:	-8.42(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-6-(butanoyloxymethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1OCC(=O)OCC(=O)/C=C/2\C(C3=CC=CC=C3N2C)(C)C

DOS

IR

Vibrations