Geometry & MOs

Info

ID:	293822
PubChem CID:	117403562
Reduced:	ClNF2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	259.097521
ΔH_f, kcal/mol:	-101.94
Dipole, Da:	1.73
IP(EA), eV:	-9.57(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-2,3,4-trimethoxyphenyl)propan-2-amine

Drug info:

PubChemData

Smile

C1CCC(C1)(CN)C2=C(C=CC(=C2)Cl)C(F)F

DOS

IR

Vibrations