Geometry & MOs

Info

ID:	261567
PubChem CID:	103240713
Reduced:	N3O3C9H13 (1)
Stoich.:	A3B3C9D13 (1)
Weight, g/mol:	353.09904
ΔH_f, kcal/mol:	-100.29
Dipole, Da:	3.1
IP(EA), eV:	-8.38(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-[[(4-ethylcyclohexyl)methylamino]methyl]benzoic acid

Drug info:

PubChemData

Smile

C1CC(OC1)COC2=C(C(=O)NC=N2)N

DOS

IR

Vibrations