Geometry & MOs

Info

ID:	305871
PubChem CID:	124972033
Reduced:	ON4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	471.05938
ΔH_f, kcal/mol:	33.91
Dipole, Da:	7.69
IP(EA), eV:	-9.04(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-2-(4-bromophenyl)pyrrolidin-1-yl]-4-[(4-fluorophenoxy)methyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(N=C1)C(=O)N2CC[C@@H](C2)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations