Geometry & MOs

Info

ID:	84625
PubChem CID:	49868789
Reduced:	ON6C18H18 (1)
Stoich.:	AB6C18D18 (1)
Weight, g/mol:	352.135782
ΔH_f, kcal/mol:	84.9
Dipole, Da:	1.74
IP(EA), eV:	-8.48(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylthiophen-2-yl)-[7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]methanone

Drug info:

PubChemData

Smile

C1CC12CN(CCN2C(=O)C3=NC=CN=C3)C4=C5C=CNC5=NC=C4

DOS

IR

Vibrations