Geometry & MOs

Info

ID:	84624
PubChem CID:	49868713
Reduced:	O5N7C29H33 (1)
Stoich.:	A5B7C29D33 (1)
Weight, g/mol:	334.154209
ΔH_f, kcal/mol:	-111.02
Dipole, Da:	1.6
IP(EA), eV:	-9.39(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=C(C(=O)N(C1=O)C3CC3)NC(=N2)C4=CN=C(C=C4)C(=O)N[C@H](CC5=CC=CC=C5)C(=O)NCCOC

DOS

IR

Vibrations