Geometry & MOs

Info

ID:	265826
PubChem CID:	103550294
Reduced:	NSO3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	326.0266
ΔH_f, kcal/mol:	-117.48
Dipole, Da:	4.95
IP(EA), eV:	-9.12(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-6-methylpyridin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2CCC(C2)C(=O)O)C3=CC=CS3

DOS

IR

Vibrations