Geometry & MOs

Info

ID:	18766
PubChem CID:	547626
Reduced:	MoN2O3C16H29 (1)
Stoich.:	AB2C3D16E29 (1)
Weight, g/mol:	395.123221
ΔH_f, kcal/mol:	-57.13
Dipole, Da:	7.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.822236
Charge, e:	0

Chem-info

IUPAC name:

carbon monoxide;2-methanidylcycloheptan-1-ol;molybdenum(3+);N,N,N',N'-tetramethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CN(C)CCN(C)C.[CH2-][C-]1CCCCC[C-]1O.[C-]#[O+].[C-]#[O+].[Mo+3]

DOS

IR

Vibrations