Geometry & MOs

Info

ID:	400365
PubChem CID:	135047677
Reduced:	NTaCl3C22H32 (1)
Stoich.:	ABC3D22E32 (1)
Weight, g/mol:	269.998414
ΔH_f, kcal/mol:	-83.59
Dipole, Da:	3.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.298817
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;chromium;prop-2-enoxybenzene

Drug info:

PubChemData

Smile

CC1=C([C](C(=C1C)C)C)C.CC(C)C1=C(C(=CC=C1)C(C)C)N=[Ta](Cl)(Cl)Cl

DOS

IR

Vibrations