Geometry & MOs

Info

ID:	29798
PubChem CID:	837391
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	291.085521
ΔH_f, kcal/mol:	-49.55
Dipole, Da:	0.71
IP(EA), eV:	-8.93(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-acetyl-4-(2-hydroxy-5-nitrophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)O[C@H](C)C(=O)NC2=NC=CC(=C2)C

DOS

IR

Vibrations