Geometry & MOs

Info

ID:	392218
PubChem CID:	135013725
Reduced:	PO3H31C40 (1)
Stoich.:	AB3C31D40 (1)
Weight, g/mol:	241.110279
ΔH_f, kcal/mol:	20.1
Dipole, Da:	1.42
IP(EA), eV:	-8.27(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 10-isocyanotricyclo[6.3.0.03,6]undeca-1(8),2,6-triene-10-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C(=CC6=CC=CC=C65)COCC7=CC=CC=C7O)O

DOS

IR

Vibrations