Geometry & MOs

Info

ID:	42085
PubChem CID:	8149162
Reduced:	OSCl2N3H13C19 (1)
Stoich.:	ABC2D3E13F19 (1)
Weight, g/mol:	354.98038
ΔH_f, kcal/mol:	33.17
Dipole, Da:	3.02
IP(EA), eV:	-8.91(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-bromo-4-methoxyphenyl)methoxy]-5-nitro-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CSC3=C2C(=O)NC(=N3)CNC4=CC=C(C=C4)Cl)Cl

DOS

IR

Vibrations