Geometry & MOs

Info

ID:	148118
PubChem CID:	53787780
Reduced:	N3O4C29H29 (1)
Stoich.:	A3B4C29D29 (1)
Weight, g/mol:	195.053158
ΔH_f, kcal/mol:	-111.38
Dipole, Da:	10.97
IP(EA), eV:	-8.36(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,3-dihydroxyprop-2-enylidene)-4-methylpyridine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O)C

DOS

IR

Vibrations