Geometry & MOs

Info

ID:	391296
PubChem CID:	135004189
Reduced:	ClWN3O6H16C23 (1)
Stoich.:	ABC3D6E16F23 (1)
Weight, g/mol:	485.924424
ΔH_f, kcal/mol:	167.47
Dipole, Da:	7.16
IP(EA), eV:	-6.91(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[4-tert-butyl-2-(trichloromethyl)pyrimidin-5-yl]-methoxymethylidene]chromium;carbon monoxide

Drug info:

PubChemData

Smile

CCOC(=[W])C1=C(N(N=N1)CC2=CC=CC=C2Cl)C3=CC=CC=C3.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations