Geometry & MOs

Info

ID:	205689
PubChem CID:	80134988
Reduced:	O2N6C11H14 (1)
Stoich.:	A2B6C11D14 (1)
Weight, g/mol:	259.072369
ΔH_f, kcal/mol:	-12.74
Dipole, Da:	4.38
IP(EA), eV:	-8.92(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloropentan-2-yl)-6-methoxy-5-nitropyrimidine

Drug info:

PubChemData

Smile

COC1=NC=NC2=C1N=C(N2C3CCCNC3=O)N

DOS

IR

Vibrations