Geometry & MOs

Info

ID:	366913
PubChem CID:	127321838
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-81.93
Dipole, Da:	7.58
IP(EA), eV:	-9.06(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-azaspiro[5.5]undec-9-en-2-yl)-3-oxopropyl]cinnolin-4-one

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CCC2)C(=O)N3CCCC4(C3)CCC=CC4

DOS

IR

Vibrations