Geometry & MOs

Info

ID:

443408

PubChem CID:

135258911

Reduced:

N5H39C62 (1)

Stoich.:

A5B39C62 (1)

Weight, g/mol:

438.153934

ΔHf, kcal/mol:

332.37

Dipole, Da:

3.08

IP(EA), eV:

 -8.69(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(3-cyanato-4-methylphenyl)carbamoyloxy]butyl N-(3-cyanato-4-methylphenyl)carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=CC=C2)C3=CC(=CC=C3)C4=NC(=NC(=N4)C5=CC6=C(C=C5)C7=CC=CC=C7C68C9=CC=CC=C9C1=CC=CC=C81)C1=CC=CC(=C1)C1=CC=CC(=N1)C1=CC=CC=C1

DOS

IR

Vibrations