Geometry & MOs

Info

ID:	226261
PubChem CID:	87350255
Reduced:	OH4C5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	364.080769
ΔH_f, kcal/mol:	-97.19
Dipole, Da:	6.39
IP(EA), eV:	-9.29(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]pyridin-2-yl]-1,3-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)/C=C\2/[C@H](C(=O)C3=CC=CC=C3C2=O)C(=O)O

DOS

IR

Vibrations