Geometry & MOs

Info

ID:	143651
PubChem CID:	53242701
Reduced:	N4O5C13H16 (1)
Stoich.:	A4B5C13D16 (1)
Weight, g/mol:	428.130298
ΔH_f, kcal/mol:	-153.51
Dipole, Da:	5.08
IP(EA), eV:	-9.72(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-(4-fluorobenzoyl)-1-[(4-methoxyphenyl)methyl]-6-(2-methylpropyl)pyrazin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C(=O)N

DOS

IR

Vibrations