Geometry & MOs

Info

ID:	385015
PubChem CID:	134978156
Reduced:	N2H17C22 (1)
Stoich.:	A2B17C22 (1)
Weight, g/mol:	292.109944
ΔH_f, kcal/mol:	146.88
Dipole, Da:	6.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.121054
Charge, e:	0

Chem-info

IUPAC name:

[[2-(4-methylphenyl)-3-oxocyclopropen-1-yl]-phenylmethyl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C([C+]2C3=CC=CC=C3)NC4=CC=C(C=C4)C#N

DOS

IR

Vibrations