Geometry & MOs

Info

ID:	420977
PubChem CID:	135115151
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	330.132805
ΔH_f, kcal/mol:	2.48
Dipole, Da:	2.02
IP(EA), eV:	-8.6(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dioxopyrimidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCCCC2)N[C@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations