Geometry & MOs

Info

ID:	59879
PubChem CID:	24902186
Reduced:	ClON2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	293.020333
ΔH_f, kcal/mol:	3.62
Dipole, Da:	2.65
IP(EA), eV:	-9.08(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(6-chloropyrimidin-4-yl)-5-nitrobenzoate

Drug info:

PubChemData

Smile

CC(C)COC1=CC=CC(=C1)C2=CC(=NC=N2)Cl

DOS

IR

Vibrations