Geometry & MOs

Info

ID:	395252
PubChem CID:	135025023
Reduced:	N3O3H31C35 (1)
Stoich.:	A3B3C31D35 (1)
Weight, g/mol:	348.115341
ΔH_f, kcal/mol:	63.01
Dipole, Da:	5.46
IP(EA), eV:	-8.7(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[(Z)-(2-diphenylphosphanylcyclopenta-2,4-dien-1-ylidene)methyl]-(2-methoxy-2-oxoethyl)azanide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C=C(NC(=O)C2(C(CC(=N)C3=CC=CC=C3)C4=CC=C(C=C4)OC)[N+]#[C-])C5=CC=CC=C5

DOS

IR

Vibrations