Geometry & MOs

Info

ID:	418825
PubChem CID:	135106930
Reduced:	FNSO5C16H22 (1)
Stoich.:	ABCD5E16F22 (1)
Weight, g/mol:	313.074868
ΔH_f, kcal/mol:	-261.54
Dipole, Da:	4.52
IP(EA), eV:	-10.22(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dichlorophenyl)methyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations