Geometry & MOs

Info

ID:	379279
PubChem CID:	134357008
Reduced:	NC15H19 (1)
Stoich.:	AB15C19 (1)
Weight, g/mol:	433.21139
ΔH_f, kcal/mol:	39.65
Dipole, Da:	1.94
IP(EA), eV:	-8.02(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[C-ethenyl-N-[(E)-2-(5-methylpyridin-2-yl)prop-1-enyl]carbonimidoyl]acetamide

Drug info:

PubChemData

Smile

C/C=C(\C=C/C(=C(C)C)N)/C1=CC=CC=C1

DOS

IR

Vibrations