Geometry & MOs

Info

ID:	414615
PubChem CID:	135087574
Reduced:	FO2N3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	373.236542
ΔH_f, kcal/mol:	18.18
Dipole, Da:	5.53
IP(EA), eV:	-8.86(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(4aS,8aS)-4a-(hydroxymethyl)-7-propyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-1-yl]ethyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=CC4=C(N3)C=CC(=C4)F

DOS

IR

Vibrations