Geometry & MOs

Info

ID:

146699

PubChem CID:

53731780

Reduced:

N2O3C15H15 (1)

Stoich.:

A2B3C15D15 (1)

Weight, g/mol:

144.057515

ΔHf, kcal/mol:

-75.77

Dipole, Da:

3.02

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.983329

Charge, e:

 0

Chem-info

IUPAC name:

(2-phenylcyclopropylidene)methanone

Drug info:

PubChemData

Smile

CC(NC(=O)[N+]1=CC=CC=C1)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations