Geometry & MOs

Info

ID:	15807
PubChem CID:	451895
Reduced:	N3O4C10H13 (1)
Stoich.:	A3B4C10D13 (1)
Weight, g/mol:	239.090606
ΔH_f, kcal/mol:	-103.34
Dipole, Da:	3.97
IP(EA), eV:	-9.48(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-4-(methylamino)pyrimidin-2-one

Drug info:

PubChemData

Smile

CNC1=NC(=O)N(C=C1)[C@H]2C3C(O3)[C@H](O2)CO

DOS

IR

Vibrations