Geometry & MOs

Info

ID:	366901
PubChem CID:	127321810
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	379.225977
ΔH_f, kcal/mol:	-48.21
Dipole, Da:	3.37
IP(EA), eV:	-9.32(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-azaspiro[5.5]undec-9-en-2-yl)-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione

Drug info:

PubChemData

Smile

C1CC2(CCC=CC2)CN(C1)C(=O)CN3C=NC4=CC=CC=C4C3=O

DOS

IR

Vibrations