Geometry & MOs

Info

ID:	150332
PubChem CID:	53790020
Reduced:	NO12H37C38 (1)
Stoich.:	AB12C37D38 (1)
Weight, g/mol:	307.157229
ΔH_f, kcal/mol:	-354.36
Dipole, Da:	5.4
IP(EA), eV:	-9.15(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-isocyanophenyl) 4-hexylbenzoate

Drug info:

PubChemData

Smile

COCOC1=CC=CC(=C1C(=O)C2=C(C=C(C(=C2OC)OC)C(=O)OC3C(CC4=CC=CC=C34)NC(=O)C5=C(C=C(C=C5)OC)OC)OC)C=O

DOS

IR

Vibrations