Geometry & MOs

Info

ID:	422025
PubChem CID:	135117027
Reduced:	SO2N5C19H21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	329.135111
ΔH_f, kcal/mol:	-8.53
Dipole, Da:	5.9
IP(EA), eV:	-8.9(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methylimidazol-4-yl)methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]ethanol

Drug info:

PubChemData

Smile

CN(CC1=NC(=O)C2=C(N1)C=CS2)C3=NC=CC(=C3)C(=O)N4CCCCC4

DOS

IR

Vibrations