Geometry & MOs

Info

ID:	422906
PubChem CID:	135118595
Reduced:	FNSO5C16H22 (1)
Stoich.:	ABCD5E16F22 (1)
Weight, g/mol:	311.108148
ΔH_f, kcal/mol:	-269.25
Dipole, Da:	5.12
IP(EA), eV:	-9.81(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl-(1H-imidazol-2-ylmethyl)amino]ethanol

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)S(=O)(=O)C2=C(C=C(C=C2)F)C)C(=O)O

DOS

IR

Vibrations