Geometry & MOs

Info

ID:	216208
PubChem CID:	85085893
Reduced:	F2O3C12H12 (1)
Stoich.:	A2B3C12D12 (1)
Weight, g/mol:	250.142976
ΔH_f, kcal/mol:	-203.28
Dipole, Da:	4.04
IP(EA), eV:	-9.68(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(hydroxymethyl)imidazol-1-yl]-3,4,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C(=CO)CC1=CC(=C(C=C1)F)F

DOS

IR

Vibrations