Geometry & MOs

Info

ID:	440231
PubChem CID:	135230162
Reduced:	N2O4C27H28 (1)
Stoich.:	A2B4C27D28 (1)
Weight, g/mol:	201.083312
ΔH_f, kcal/mol:	-105.66
Dipole, Da:	9.17
IP(EA), eV:	-8.46(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(2,3-dimethylphenyl)-4-methyl-1-phosphoniacyclopenta-1,3,5-triene

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C3C=C(C(=O)OC3=C2)C4=NC5=CC=CC=C5O4)CCCC(=O)C)(C)C

DOS

IR

Vibrations