Geometry & MOs

Info

ID:	213379
PubChem CID:	81063581
Reduced:	BrNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	270.157957
ΔH_f, kcal/mol:	-131.86
Dipole, Da:	5.41
IP(EA), eV:	-9.7(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-acetylpiperidine-3-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CCC1=CC(=CC=C1)Br

DOS

IR

Vibrations