Geometry & MOs

Info

ID:	234633
PubChem CID:	92303205
Reduced:	ON5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	300.006848
ΔH_f, kcal/mol:	42.24
Dipole, Da:	4.88
IP(EA), eV:	-8.47(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(2,3-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CCOC1=CC=C(C=C1)[C@@H]2N=C(N=C3N2C4=CC=CC=C4N3)N

DOS

IR

Vibrations