Geometry & MOs

Info

ID:	81565
PubChem CID:	49854869
Reduced:	NOC10H11 (1)
Stoich.:	ABC10D11 (1)
Weight, g/mol:	440.118378
ΔH_f, kcal/mol:	-12.46
Dipole, Da:	5.77
IP(EA), eV:	-8.56(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-2-[(2,4-difluorophenyl)methyl]-1-hydroxy-8,9-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC2=C(N1)C(=CC=C2)C=O

DOS

IR

Vibrations