Geometry & MOs

Info

ID:	258996
PubChem CID:	103157882
Reduced:	BrNOF3C15H19 (1)
Stoich.:	ABCD3E15F19 (1)
Weight, g/mol:	255.219829
ΔH_f, kcal/mol:	-205.31
Dipole, Da:	5.55
IP(EA), eV:	-8.91(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNC2=CC(=C(C=C2)Br)C(F)(F)F)O

DOS

IR

Vibrations