Geometry & MOs

Info

ID:	344380
PubChem CID:	127267556
Reduced:	FN3O3C16H16 (1)
Stoich.:	AB3C3D16E16 (1)
Weight, g/mol:	333.168856
ΔH_f, kcal/mol:	-108.4
Dipole, Da:	2.95
IP(EA), eV:	-9.39(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-6-oxopyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=NC=N1)N2CCC(C2)(C3=CC=C(C=C3)F)O

DOS

IR

Vibrations