Geometry & MOs

Info

ID:	261848
PubChem CID:	103255244
Reduced:	NO3C15H29 (1)
Stoich.:	AB3C15D29 (1)
Weight, g/mol:	355.07831
ΔH_f, kcal/mol:	-177.97
Dipole, Da:	4.56
IP(EA), eV:	-9.26(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-[[[2-(hydroxymethyl)cyclohexyl]methylamino]methyl]benzoic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)OC)NCC1CCCCC1CO

DOS

IR

Vibrations