Geometry & MOs

Info

ID:	366911
PubChem CID:	127321836
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	386.210661
ΔH_f, kcal/mol:	-8.47
Dipole, Da:	3.82
IP(EA), eV:	-8.99(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azaspiro[5.5]undec-9-en-2-yl-(1-benzylpyrazolo[3,4-b]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC=C(C=C2)OC)C(=O)N3CCCC4(C3)CCC=CC4

DOS

IR

Vibrations