Geometry & MOs

Info

ID:	448297
PubChem CID:	135289980
Reduced:	N2O5H22C24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	248.068473
ΔH_f, kcal/mol:	-110.14
Dipole, Da:	2.04
IP(EA), eV:	-8.61(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-formyl-2-methoxy-3-prop-2-ynoxyphenyl) acetate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)OCCC3=CN=CC=C3

DOS

IR

Vibrations