Geometry & MOs

Info

ID:	412241
PubChem CID:	135085125
Reduced:	CrNPO5H26C34 (1)
Stoich.:	ABCD5E26F34 (1)
Weight, g/mol:	666.233656
ΔH_f, kcal/mol:	34.05
Dipole, Da:	2.63
IP(EA), eV:	-8.2(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)O[C@@H](C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=N5.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

DOS

IR

Vibrations