Geometry & MOs

Info

ID:	59937
PubChem CID:	24902556
Reduced:	ClNF3O3C16H19 (1)
Stoich.:	ABC3D3E16F19 (1)
Weight, g/mol:	349.158589
ΔH_f, kcal/mol:	-300.13
Dipole, Da:	4.21
IP(EA), eV:	-9.42(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C1)OC2=CC=CC(=C2Cl)C(F)(F)F

DOS

IR

Vibrations