Geometry & MOs

Info

ID:	83307
PubChem CID:	49857432
Reduced:	N2O3H26C27 (1)
Stoich.:	A2B3C26D27 (1)
Weight, g/mol:	505.163771
ΔH_f, kcal/mol:	-48.69
Dipole, Da:	7.37
IP(EA), eV:	-8.88(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[(4Z)-4-[hydroxy-(4-methylphenyl)methylidene]-2,3-dioxo-5-(4-phenylphenyl)pyrrolidin-1-yl]pyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=NC=C(C=C3)C)C4=CC=C(C=C4)C(C)C)/O

DOS

IR

Vibrations