Geometry & MOs

Info

ID:	258995
PubChem CID:	103157870
Reduced:	NO2C13H27 (1)
Stoich.:	AB2C13D27 (1)
Weight, g/mol:	365.06021
ΔH_f, kcal/mol:	-129.37
Dipole, Da:	1.94
IP(EA), eV:	-9.2(2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-bromo-3-(trifluoromethyl)anilino]-3-cyclopentylpropan-2-ol

Drug info:

PubChemData

Smile

CC(CCOC)NCC(CC1CCCC1)O

DOS

IR

Vibrations