Geometry & MOs

Info

ID:	63696
PubChem CID:	26758989
Reduced:	N2O5C21H24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	336.076451
ΔH_f, kcal/mol:	-154.49
Dipole, Da:	6.3
IP(EA), eV:	-7.66(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-2-methoxyphenyl)methyl 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3)OC

DOS

IR

Vibrations