Geometry & MOs

Info

ID:	366915
PubChem CID:	127321840
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-104.93
Dipole, Da:	4.44
IP(EA), eV:	-9.16(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azaspiro[5.5]undec-9-en-2-yl-(1-methylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)N3CCCC4(C3)CCC=CC4

DOS

IR

Vibrations