Geometry & MOs

Info

ID:	84844
PubChem CID:	49870287
Reduced:	O2N5H25C26 (1)
Stoich.:	A2B5C25D26 (1)
Weight, g/mol:	333.15896
ΔH_f, kcal/mol:	38.0
Dipole, Da:	5.82
IP(EA), eV:	-8.64(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]methanone

Drug info:

PubChemData

Smile

C=CC(=O)N1CCCC(C1)N2C=C(C3=C(N=CN=C32)N)C4=CC=C(C=C4)OC5=CC=CC=C5

DOS

IR

Vibrations