Geometry & MOs

Info

ID:	306148
PubChem CID:	125001774
Reduced:	ON5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	421.18017
ΔH_f, kcal/mol:	31.72
Dipole, Da:	1.55
IP(EA), eV:	-8.69(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-fluorophenyl)ethyl]-2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CN([C@H]1CCCN(C1)C2=CC=CC=N2)C(=O)CN3C=CC=N3

DOS

IR

Vibrations