Geometry & MOs

Info

ID:	141156
PubChem CID:	52828414
Reduced:	ClO2F3N5C17H19 (1)
Stoich.:	AB2C3D5E17F19 (1)
Weight, g/mol:	256.133754
ΔH_f, kcal/mol:	-168.9
Dipole, Da:	8.49
IP(EA), eV:	-8.97(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-[(2-hydroxyphenyl)methyl]azanium

Drug info:

PubChemData

Smile

C1CN(CCN1CCCO)C2=C(C(=O)N(N=C2)C3=NC=C(C=C3)C(F)(F)F)Cl

DOS

IR

Vibrations