Geometry & MOs

Info

ID:	302541
PubChem CID:	124384984
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	252.097088
ΔH_f, kcal/mol:	-138.8
Dipole, Da:	5.4
IP(EA), eV:	-8.81(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[(2S,4R,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CCCN(CCC)[C@@H]1CCC2=C(C1)C=CC(=C2O)C(=O)O

DOS

IR

Vibrations