Geometry & MOs

Info

ID:	343516
PubChem CID:	127266689
Reduced:	O3N6C10H12 (1)
Stoich.:	A3B6C10D12 (1)
Weight, g/mol:	311.16452
ΔH_f, kcal/mol:	9.77
Dipole, Da:	5.48
IP(EA), eV:	-9.54(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-fluoro-2-[1-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)NCC2=NNC(=O)N2C)[N+](=O)[O-]

DOS

IR

Vibrations