Geometry & MOs

Info

ID:	200602
PubChem CID:	79415352
Reduced:	NO2C14H23 (1)
Stoich.:	AB2C14D23 (1)
Weight, g/mol:	277.128963
ΔH_f, kcal/mol:	-90.24
Dipole, Da:	1.84
IP(EA), eV:	-8.83(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol

Drug info:

PubChemData

Smile

CCCC(CN)C(C1=CC(=CC=C1)OCC)O

DOS

IR

Vibrations