Geometry & MOs

Info

ID:	229543
PubChem CID:	87567982
Reduced:	BrNPF2O3C14H21 (1)
Stoich.:	ABCD2E3F14G21 (1)
Weight, g/mol:	390.045855
ΔH_f, kcal/mol:	-289.25
Dipole, Da:	2.48
IP(EA), eV:	-9.31(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methylidenezirconium(2+);1,3,5-trimethylcyclopenta-1,3-diene;2,3,5-trimethylcyclopenta-1,3-diene;dihydrochloride

Drug info:

PubChemData

Smile

CCC(C)OP(=O)(C(C1=C(C=C(C=C1)CNCC)Br)(F)F)O

DOS

IR

Vibrations