Geometry & MOs

Info

ID:	284030
PubChem CID:	104028462
Reduced:	BrON2C17H25 (1)
Stoich.:	ABC2D17E25 (1)
Weight, g/mol:	356.00078
ΔH_f, kcal/mol:	-68.53
Dipole, Da:	3.58
IP(EA), eV:	-8.78(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(2-bromo-3-nitrobenzoyl)piperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CC(CC(C1)(C)C)NC(=O)C2=C(C(=CC=C2)N)Br)C

DOS

IR

Vibrations