Geometry & MOs

Info

ID:	42066
PubChem CID:	8149121
Reduced:	N2O3H8C9 (2)
Stoich.:	A2B3C8D9 (2)
Weight, g/mol:	303.121906
ΔH_f, kcal/mol:	-101.42
Dipole, Da:	12.92
IP(EA), eV:	-9.73(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-tert-butylphenyl)methoxy]-5-nitro-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC3=C(C(=O)NC=N3)[N+](=O)[O-])C

DOS

IR

Vibrations