Geometry & MOs

Info

ID:	409167
PubChem CID:	135081946
Reduced:	LiZrC29H55 (1)
Stoich.:	ABC29D55 (1)
Weight, g/mol:	374.340947
ΔH_f, kcal/mol:	-96.92
Dipole, Da:	6.24
IP(EA), eV:	-8.32(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propyl-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin

Drug info:

PubChemData

Smile

[Li+].CCCCC[CH2-].CCCCC[CH2-].CCCC[C@@H]([CH2-])[C@H]([CH2-])CCCC.C1=C[CH]C=C1.[Zr+3]

DOS

IR

Vibrations