Geometry & MOs

Info

ID:	202000
PubChem CID:	79616401
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	247.118399
ΔH_f, kcal/mol:	-106.65
Dipole, Da:	4.16
IP(EA), eV:	-8.9(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-amine

Drug info:

PubChemData

Smile

CC(C(=O)CC1=CC(=CC=C1)OC)OC

DOS

IR

Vibrations