Geometry & MOs

Info

ID:	404336
PubChem CID:	135065905
Reduced:	BMoSeO2N6C24H32 (1)
Stoich.:	ABCD2E6F24G32 (1)
Weight, g/mol:	270.89235
ΔH_f, kcal/mol:	272.98
Dipole, Da:	6.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.652223
Charge, e:	1

Chem-info

IUPAC name:

3,3-dimethylbut-1-ynylselanylmethylidynemolybdenum(1+)

Drug info:

PubChemData

Smile

[B-](N1C(=CC(=N1)C)C)(N2C(=CC(=N2)C)C)N3C(=CC(=N3)C)C.CC(C)(C)C#C[Se]C#[Mo+].[CH-]=O.[CH-]=O

DOS

IR

Vibrations