Geometry & MOs

Info

ID:	202662
PubChem CID:	79707292
Reduced:	BrON2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-26.11
Dipole, Da:	1.24
IP(EA), eV:	-8.79(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(piperidin-4-ylmethylamino)benzoic acid

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OC)Br)NCC2CCNCC2

DOS

IR

Vibrations