Geometry & MOs

Info

ID:	423906
PubChem CID:	135120705
Reduced:	N6O6C33H44 (1)
Stoich.:	A6B6C33D44 (1)
Weight, g/mol:	303.149538
ΔH_f, kcal/mol:	-223.42
Dipole, Da:	7.44
IP(EA), eV:	-8.96(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)C(=O)C3CCN(CC3)C(=O)C4=CC=CC=N4

DOS

IR

Vibrations