Geometry & MOs

Info

ID:	162775
PubChem CID:	57569508
Reduced:	FO2N9H22C24 (1)
Stoich.:	AB2C9D22E24 (1)
Weight, g/mol:	209.080041
ΔH_f, kcal/mol:	99.3
Dipole, Da:	11.22
IP(EA), eV:	-8.79(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](C1=C/C(=C/2\N=C3C=NC(=NC3=N2)C(C)(C)C)/NO1)NC(=O)C4=NC=NC(=C4)C5=C(N=CC=C5)F

DOS

IR

Vibrations