Geometry & MOs

Info

ID:	406348
PubChem CID:	135077294
Reduced:	CrNO3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	398.293328
ΔH_f, kcal/mol:	39.31
Dipole, Da:	1.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.790435
Charge, e:	0

Chem-info

IUPAC name:

bis[4-(dimethylamino)phenyl]methanol;octanal

Drug info:

PubChemData

Smile

[CH3-].C[C@@H](CC1=CC=CC=C1)N(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

DOS

IR

Vibrations