Geometry & MOs

Info

ID:	189973
PubChem CID:	77934917
Reduced:	O2N5C30H35 (1)
Stoich.:	A2B5C30D35 (1)
Weight, g/mol:	431.206973
ΔH_f, kcal/mol:	16.63
Dipole, Da:	2.7
IP(EA), eV:	-9.24(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(5-ethoxypyrimidin-2-yl)phenyl]-4-(4-oxo-1-pyrazolidin-4-ylpyridazin-3-yl)butanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1CC2C3=C(NC2=O)N=CC=C3)C#CCN4C(=O)C(=NC45CCCCCC5)C(C)(C)C

DOS

IR

Vibrations