Geometry & MOs

Info

ID:	420999
PubChem CID:	135115181
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	-18.5
Dipole, Da:	3.08
IP(EA), eV:	-8.75(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-4-methoxy-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC(=C(O2)C)CN3C[C@H]([C@@H](C3)O)CC4=NNC(=C4)C

DOS

IR

Vibrations