Geometry & MOs

Info

ID:	311432
PubChem CID:	126592724
Reduced:	ON2C7H14 (2)
Stoich.:	AB2C7D14 (2)
Weight, g/mol:	370.04407
ΔH_f, kcal/mol:	-122.31
Dipole, Da:	1.96
IP(EA), eV:	-8.89(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-amino-2-(3-bromo-4-fluorophenyl)iminoacetyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC(N1CC(=O)NCCC(=O)NCCN)C

DOS

IR

Vibrations