Geometry & MOs

Info

ID:	198965
PubChem CID:	79180234
Reduced:	FSN2O2C15H23 (1)
Stoich.:	ABC2D2E15F23 (1)
Weight, g/mol:	267.20591
ΔH_f, kcal/mol:	-128.99
Dipole, Da:	3.76
IP(EA), eV:	-9.3(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[[1-[(4-methylmorpholin-2-yl)methyl]triazol-4-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1CN(CC1C)S(=O)(=O)C2=CC(=CC(=C2C)F)CNC

DOS

IR

Vibrations