Geometry & MOs

Info

ID:	84880
PubChem CID:	49870550
Reduced:	NO5C26H37 (1)
Stoich.:	AB5C26D37 (1)
Weight, g/mol:	387.169525
ΔH_f, kcal/mol:	-214.07
Dipole, Da:	4.68
IP(EA), eV:	-9.53(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carbonyl]-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

C1C=C([C@H](C1=O)CCCCCCC(=O)NC(CO)CO)/C=C/[C@H](CCC2=CC=CC=C2)O

DOS

IR

Vibrations