Geometry & MOs

Info

ID:	308253
PubChem CID:	125324657
Reduced:	O2N7C17H21 (1)
Stoich.:	A2B7C17D21 (1)
Weight, g/mol:	190.973383
ΔH_f, kcal/mol:	36.76
Dipole, Da:	7.68
IP(EA), eV:	-8.99(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-6-chloro-5-nitro-5H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C(=O)C=C[C@@H](N1)N2CCC[C@@H](C2)C(=O)NC3=CC4=NNN=C4C=C3

DOS

IR

Vibrations