Geometry & MOs

Info

ID:	433816
PubChem CID:	135173959
Reduced:	O2N3C13H29 (1)
Stoich.:	A2B3C13D29 (1)
Weight, g/mol:	253.132746
ΔH_f, kcal/mol:	-94.29
Dipole, Da:	3.82
IP(EA), eV:	-8.74(1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3S,4R)-3-ethynyl-1,7-diazaspiro[3.4]octan-7-yl]-7H-pyrrolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC(C)NCCOCCOCCN1CCNCC1

DOS

IR

Vibrations