Geometry & MOs

Info

ID:	29659
PubChem CID:	836219
Reduced:	N2O3H10C14 (1)
Stoich.:	A2B3C10D14 (1)
Weight, g/mol:	260.060407
ΔH_f, kcal/mol:	-13.15
Dipole, Da:	6.38
IP(EA), eV:	-9.19(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethylphenyl) 4-chlorobenzoate

Drug info:

PubChemData

Smile

C1=COC(=C1)C(=O)OC2=CC=C(C=C2)N3C=CN=C3

DOS

IR

Vibrations