Geometry & MOs

Info

ID:	419005
PubChem CID:	135107310
Reduced:	O3N6C27H34 (1)
Stoich.:	A3B6C27D34 (1)
Weight, g/mol:	309.196489
ΔH_f, kcal/mol:	-44.28
Dipole, Da:	4.0
IP(EA), eV:	-8.92(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-7-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCN(CC2=CN(CCCOC3=C(C=CC(=C3)C)C(=O)N1)N=N2)CC4=CC=CC=C4

DOS

IR

Vibrations