Geometry & MOs

Info

ID:	326219
PubChem CID:	126687193
Reduced:	ClOF3N6H22C24 (1)
Stoich.:	ABC3D6E22F24 (1)
Weight, g/mol:	141.15175
ΔH_f, kcal/mol:	-73.99
Dipole, Da:	4.46
IP(EA), eV:	-8.24(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2,3-dimethylheptan-1-imine

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C(=O)C2=CC(=CC(=C2)F)F)CNC3=NC(=NC=C3F)C4=CNC5C4=CC(=CN5)Cl

DOS

IR

Vibrations