Geometry & MOs

Info

ID:	28985
PubChem CID:	831000
Reduced:	NC9H11 (2)
Stoich.:	AB9C11 (2)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	16.33
Dipole, Da:	2.41
IP(EA), eV:	-8.21(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylbutyl (4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C[C@]1(CC(C2=C1C=C(C=C2)N)(C)C)C3=CC=C(C=C3)N

DOS

IR

Vibrations