Geometry & MOs

Info

ID:	258914
PubChem CID:	103157407
Reduced:	NO2C13H25 (1)
Stoich.:	AB2C13D25 (1)
Weight, g/mol:	341.09904
ΔH_f, kcal/mol:	-122.01
Dipole, Da:	3.09
IP(EA), eV:	-9.16(2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNCC2CCOC2)O

DOS

IR

Vibrations