Geometry & MOs

Info

ID:	400259
PubChem CID:	135047038
Reduced:	FeNI2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	445.098128
ΔH_f, kcal/mol:	130.75
Dipole, Da:	12.92
IP(EA), eV:	-7.64(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;chromium;[(S)-[2-[(1R)-1-(dimethylamino)ethyl]phenyl]-phenylmethyl] prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H]([C]1[CH][CH][CH][C]1I)[N+](C)(C)C.[CH]1[CH][CH][CH][CH]1.[Fe].[I-]

DOS

IR

Vibrations