Geometry & MOs

Info

ID:	190617
PubChem CID:	78032050
Reduced:	BrN4O5C19H25 (1)
Stoich.:	AB4C5D19E25 (1)
Weight, g/mol:	255.183444
ΔH_f, kcal/mol:	-217.78
Dipole, Da:	6.95
IP(EA), eV:	-9.06(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-8-methyl-1-pentyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C(=O)NC(=O)NC2=CC(=CC=C2)Br)NC(=O)OC

DOS

IR

Vibrations