Geometry & MOs

Info

ID:	344379
PubChem CID:	127267555
Reduced:	O2N4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	317.11757
ΔH_f, kcal/mol:	-45.61
Dipole, Da:	3.2
IP(EA), eV:	-8.7(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C2=NC=NC(=C2)C(=O)OC

DOS

IR

Vibrations