Geometry & MOs

Info

ID:	42059
PubChem CID:	8149037
Reduced:	N4O5C12H18 (1)
Stoich.:	A4B5C12D18 (1)
Weight, g/mol:	349.021396
ΔH_f, kcal/mol:	-121.98
Dipole, Da:	7.16
IP(EA), eV:	-9.67(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-5-nitro-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)C(=O)COC1=C(C(=O)NC=N1)[N+](=O)[O-]

DOS

IR

Vibrations