Geometry & MOs

Info

ID:	296944
PubChem CID:	117602036
Reduced:	O2N4H24C27 (1)
Stoich.:	A2B4C24D27 (1)
Weight, g/mol:	451.16444
ΔH_f, kcal/mol:	67.16
Dipole, Da:	5.75
IP(EA), eV:	-9.32(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-N-(6-methoxy-3,7-dihydro-2H-inden-1-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1N2C(=NC(=O)C2(C3=CC=CC=C3)C4=C(C=CC=C4C5=CC=CC=C5)C#N)N

DOS

IR

Vibrations