Geometry & MOs

Info

ID:	33550
PubChem CID:	7886947
Reduced:	NO8H17C21 (1)
Stoich.:	AB8C17D21 (1)
Weight, g/mol:	408.097581
ΔH_f, kcal/mol:	-148.87
Dipole, Da:	5.99
IP(EA), eV:	-8.84(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations