Geometry & MOs

Info

ID:	261673
PubChem CID:	103244854
Reduced:	BrNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	282.194343
ΔH_f, kcal/mol:	-89.3
Dipole, Da:	6.57
IP(EA), eV:	-8.22(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(1-methylcyclohexyl)amino]acetyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCCCC1)NCC2=C(C=C(C=C2)C(=O)O)Br

DOS

IR

Vibrations