Geometry & MOs

Info

ID:	29875
PubChem CID:	837936
Reduced:	N2O3H12C15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	302.115424
ΔH_f, kcal/mol:	-7.56
Dipole, Da:	5.52
IP(EA), eV:	-8.77(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylphenyl) 2,4,5-trimethoxybenzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/2\C(=O)N=C(N2)C3=CC=CO3

DOS

IR

Vibrations