Geometry & MOs

Info

ID:	54823
PubChem CID:	17389349
Reduced:	BrN4O4H7C10 (1)
Stoich.:	AB4C4D7E10 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	10.88
Dipole, Da:	8.48
IP(EA), eV:	-9.7(-2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

piperidine;2-(piperidine-1-carbonyl)benzoic acid

Drug info:

PubChemData

Smile

C\1=C(C=C(C(=O)/C1=C\NNC(=O)CC#N)[N+](=O)[O-])Br

DOS

IR

Vibrations