Geometry & MOs

Info

ID:	416924
PubChem CID:	135090795
Reduced:	ON6C20H26 (1)
Stoich.:	AB6C20D26 (1)
Weight, g/mol:	364.153541
ΔH_f, kcal/mol:	21.88
Dipole, Da:	3.64
IP(EA), eV:	-8.84(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CCCNC3=NC=CC(=N3)N4CCCC(C4)O

DOS

IR

Vibrations