Geometry & MOs

Info

ID:	341957
PubChem CID:	127264650
Reduced:	ClNO2F4C10H10 (1)
Stoich.:	ABC2D4E10F10 (1)
Weight, g/mol:	234.069054
ΔH_f, kcal/mol:	-307.91
Dipole, Da:	3.36
IP(EA), eV:	-10.5(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-(3-methylpyridin-2-yl)methanamine;dihydrochloride

Drug info:

PubChemData

Smile

COC(=O)[C@H](C1=CC(=C(C=C1)C(F)(F)F)F)N.Cl

DOS

IR

Vibrations