Geometry & MOs

Info

ID:	300305
PubChem CID:	121270284
Reduced:	ClO2N6C27H27 (1)
Stoich.:	AB2C6D27E27 (1)
Weight, g/mol:	409.175004
ΔH_f, kcal/mol:	26.76
Dipole, Da:	6.19
IP(EA), eV:	-8.72(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-(2-methoxy-7,7-dimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl)pyridin-3-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CN=C(C(=N1)C(=O)N2CC3(C2)CN(C3)C4=CC(=CN=C4)N5C(=O)C6=C(C5(C)C)C=C(C=C6)Cl)C

DOS

IR

Vibrations