Geometry & MOs

Info

ID:	318612
PubChem CID:	126652272
Reduced:	N3O6C29H29 (1)
Stoich.:	A3B6C29D29 (1)
Weight, g/mol:	352.14345
ΔH_f, kcal/mol:	-117.44
Dipole, Da:	3.04
IP(EA), eV:	-8.3(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-fluoro-6-(hydroxymethyl)-3-nitrophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)OC4CO[C@H]5[C@@H]4OC[C@@H]5OCC6=CC=CC=C6)OC

DOS

IR

Vibrations