Geometry & MOs

Info

ID:	271042
PubChem CID:	103641056
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	225.054753
ΔH_f, kcal/mol:	20.04
Dipole, Da:	4.49
IP(EA), eV:	-8.71(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-imidazol-5-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)CNCCC2=CC(=CC=C2)OC

DOS

IR

Vibrations