Geometry & MOs

Info

ID:	310534
PubChem CID:	126581682
Reduced:	NO5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	340.07864
ΔH_f, kcal/mol:	-194.14
Dipole, Da:	4.73
IP(EA), eV:	-9.8(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-bromo-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

COC(=O)C1CC2=C(C=C(C=C2)[C@H]3CCCOC(=O)NC3)C(=O)C1

DOS

IR

Vibrations