Geometry & MOs

Info

ID:	441683
PubChem CID:	135240351
Reduced:	NO3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	285.195346
ΔH_f, kcal/mol:	-180.56
Dipole, Da:	1.77
IP(EA), eV:	-9.42(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8a-ethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,2,3,4,4a,5,6,8-octahydro-2,7-naphthyridine

Drug info:

PubChemData

Smile

C[C@]1(CCCCN1C(=O)OC(C)(C)C)CO

DOS

IR

Vibrations