Geometry & MOs

Info

ID:	422226
PubChem CID:	135117441
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	393.191323
ΔH_f, kcal/mol:	-73.55
Dipole, Da:	1.89
IP(EA), eV:	-8.95(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCC12C(CC3=CC=CC=C23)O)CC4=C(NN=C4)C(=O)O

DOS

IR

Vibrations